CID 4346435

3,4-dichloro-4'-(trifluoromethyl)benzophenone

Structural Information

Molecular Formula
C14H7Cl2F3O
SMILES
C1=CC(=CC=C1C(=O)C2=CC(=C(C=C2)Cl)Cl)C(F)(F)F
InChI
InChI=1S/C14H7Cl2F3O/c15-11-6-3-9(7-12(11)16)13(20)8-1-4-10(5-2-8)14(17,18)19/h1-7H
InChIKey
SLLXTMKXSMQVNM-UHFFFAOYSA-N
Compound name
(3,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.9826 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.98988 160.0
[M+Na]+ 340.97182 171.3
[M-H]- 316.97532 162.8
[M+NH4]+ 336.01642 176.1
[M+K]+ 356.94576 163.8
[M+H-H2O]+ 300.97986 152.2
[M+HCOO]- 362.98080 169.5
[M+CH3COO]- 376.99645 203.4
[M+Na-2H]- 338.95727 162.7
[M]+ 317.98205 160.3
[M]- 317.98315 160.3
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