CID 2737553

3-fluoro-4-(trifluoromethyl)benzophenone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 153.6
[M+Na]+ 291.04034 162.9
[M-H]- 267.04384 155.6
[M+NH4]+ 286.08494 169.9
[M+K]+ 307.01428 158.0
[M+H-H2O]+ 251.04838 143.4
[M+HCOO]- 313.04932 171.5
[M+CH3COO]- 327.06497 197.1
[M+Na-2H]- 289.02579 157.3
[M]+ 268.05057 148.4
[M]- 268.05167 148.4
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

patents stripe