CID 91941229

4'-[(12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadecyl)oxy][1,1'-biphenyl]-4-carbonitrile

Structural Information

Molecular Formula
C32H30F17NO
SMILES
C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OCCCCCCCCCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C32H30F17NO/c33-25(34,26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)31(45,46)32(47,48)49)18-8-6-4-2-1-3-5-7-9-19-51-24-16-14-23(15-17-24)22-12-10-21(20-50)11-13-22/h10-17H,1-9,18-19H2
InChIKey
LQBBBOUZXWMQFY-UHFFFAOYSA-N
Compound name
4-[4-(12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadecoxy)phenyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

767.20557 Da
Monoisotopic Mass

13.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 768.21285 259.5
[M+Na]+ 790.19479 228.2
[M-H]- 766.19829 224.2
[M+NH4]+ 785.23939 230.0
[M+K]+ 806.16873 257.5
[M+H-H2O]+ 750.20283 234.6
[M+HCOO]- 812.20377 242.0
[M+CH3COO]- 826.21942 282.2
[M+Na-2H]- 788.18024 255.6
[M]+ 767.20502 218.6
[M]- 767.20612 218.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.