CID 11763202

237738-71-5

Structural Information

Molecular Formula
C19H15F13N2O
SMILES
C1=CC=C2C(=C1)NC(=N2)CCCCCC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C19H15F13N2O/c20-14(21,15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)32)12(35)8-2-1-3-9-13-33-10-6-4-5-7-11(10)34-13/h4-7H,1-3,8-9H2,(H,33,34)
InChIKey
MITMTPJIARYTDP-UHFFFAOYSA-N
Compound name
1-(1H-benzimidazol-2-yl)-7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododecan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

534.09766 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.10494 176.9
[M+Na]+ 557.08688 176.8
[M+NH4]+ 552.13148 175.8
[M+K]+ 573.06082 176.2
[M-H]- 533.09038 172.4
[M+Na-2H]- 555.07233 175.7
[M]+ 534.09711 175.4
[M]- 534.09821 175.4
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.