CID 91329

2,2',5-trichlorobenzophenone

Structural Information

Molecular Formula
C13H7Cl3O
SMILES
C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Cl)Cl)Cl
InChI
InChI=1S/C13H7Cl3O/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7H
InChIKey
MKLXVYRSKJSNGW-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)-(2,5-dichlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

283.95624 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.96352 154.5
[M+Na]+ 306.94546 165.4
[M-H]- 282.94896 159.7
[M+NH4]+ 301.99006 171.9
[M+K]+ 322.91940 158.4
[M+H-H2O]+ 266.95350 150.0
[M+HCOO]- 328.95444 163.5
[M+CH3COO]- 342.97009 198.0
[M+Na-2H]- 304.93091 157.5
[M]+ 283.95569 158.3
[M]- 283.95679 158.3
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