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

9
Patents

283.95624 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.963516 154.5
[M+Na]+ 306.945458 165.4
[M-H]- 282.948964 159.7
[M+NH4]+ 301.990063 171.9
[M+K]+ 322.919398 158.4
[M+H-H2O]+ 266.953500 150.0
[M+HCOO]- 328.954441 163.5
[M+CH3COO]- 342.970091 198.0
[M+Na-2H]- 304.930906 157.5
[M]+ 283.95569142 158.3
[M]- 283.95678858 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