CID 2777011

3,4,5-trifluorobenzophenone

Structural Information

Molecular Formula
C13H7F3O
SMILES
C1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)F)F)F
InChI
InChI=1S/C13H7F3O/c14-10-6-9(7-11(15)12(10)16)13(17)8-4-2-1-3-5-8/h1-7H
InChIKey
BTQOMZVQASIULU-UHFFFAOYSA-N
Compound name
phenyl-(3,4,5-trifluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

236.0449 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.05218 145.2
[M+Na]+ 259.03412 155.3
[M-H]- 235.03762 148.8
[M+NH4]+ 254.07872 163.0
[M+K]+ 275.00806 150.7
[M+H-H2O]+ 219.04216 135.8
[M+HCOO]- 281.04310 166.1
[M+CH3COO]- 295.05875 192.7
[M+Na-2H]- 257.01957 148.7
[M]+ 236.04435 141.9
[M]- 236.04545 141.9
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