CID 387085

Nsc680477

Structural Information

Molecular Formula
C15H8ClF5
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)Cl)C(=C(F)F)C(F)(F)F
InChI
InChI=1S/C15H8ClF5/c16-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(14(17)18)15(19,20)21/h1-8H
InChIKey
LFSYQUUNMYJBLK-UHFFFAOYSA-N
Compound name
1-chloro-4-[4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.02347 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.03075 162.0
[M+Na]+ 341.01269 171.7
[M-H]- 317.01619 162.3
[M+NH4]+ 336.05729 177.2
[M+K]+ 356.98663 164.1
[M+H-H2O]+ 301.02073 151.6
[M+HCOO]- 363.02167 172.9
[M+CH3COO]- 377.03732 204.7
[M+Na-2H]- 338.99814 163.0
[M]+ 318.02292 156.4
[M]- 318.02402 156.4
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.