CID 2737552

2-fluoro-3-(trifluoromethyl)benzophenone

Structural Information

Molecular Formula
C14H8F4O
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C(=CC=C2)C(F)(F)F)F
InChI
InChI=1S/C14H8F4O/c15-12-10(7-4-8-11(12)14(16,17)18)13(19)9-5-2-1-3-6-9/h1-8H
InChIKey
QNEOCRQLKSEYEM-UHFFFAOYSA-N
Compound name
[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

268.05112 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.05840 163.8
[M+Na]+ 291.04034 173.7
[M+NH4]+ 286.08494 168.9
[M+K]+ 307.01428 167.5
[M-H]- 267.04384 161.7
[M+Na-2H]- 289.02579 169.2
[M]+ 268.05057 164.5
[M]- 268.05167 164.5
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

patents stripe