CID 2736679

2-chloro-5-(trifluoromethyl)benzophenone

Structural Information

Molecular Formula
C14H8ClF3O
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl
InChI
InChI=1S/C14H8ClF3O/c15-12-7-6-10(14(16,17)18)8-11(12)13(19)9-4-2-1-3-5-9/h1-8H
InChIKey
QHDJJBSLUFDASY-UHFFFAOYSA-N
Compound name
[2-chloro-5-(trifluoromethyl)phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

284.02158 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.02886 155.7
[M+Na]+ 307.01080 165.8
[M-H]- 283.01430 158.9
[M+NH4]+ 302.05540 172.4
[M+K]+ 322.98474 159.5
[M+H-H2O]+ 267.01884 147.1
[M+HCOO]- 329.01978 170.2
[M+CH3COO]- 343.03543 197.9
[M+Na-2H]- 304.99625 159.6
[M]+ 284.02103 154.1
[M]- 284.02213 154.1
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