CID 3338355

3-fluoro-4-{(e)-[4'-(heptafluoropropyl)[1,1'-biphenyl]-4-yl]diazenyl}phenol

Structural Information

Molecular Formula
C21H12F8N2O
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)O)F)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C21H12F8N2O/c22-17-11-16(32)9-10-18(17)31-30-15-7-3-13(4-8-15)12-1-5-14(6-2-12)19(23,24)20(25,26)21(27,28)29/h1-11,32H
InChIKey
BGKKRNFDWGTOGR-UHFFFAOYSA-N
Compound name
3-fluoro-4-[[4-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenyl]phenyl]diazenyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

460.08218 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.08946 202.8
[M+Na]+ 483.07140 212.1
[M-H]- 459.07490 204.0
[M+NH4]+ 478.11600 210.9
[M+K]+ 499.04534 204.8
[M+H-H2O]+ 443.07944 186.5
[M+HCOO]- 505.08038 216.0
[M+CH3COO]- 519.09603 238.6
[M+Na-2H]- 481.05685 205.3
[M]+ 460.08163 193.2
[M]- 460.08273 193.2
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.