CID 689088

2',5-dichloro-2-hydroxy-4-methylbenzophenone

Structural Information

Molecular Formula
C14H10Cl2O2
SMILES
CC1=CC(=C(C=C1Cl)C(=O)C2=CC=CC=C2Cl)O
InChI
InChI=1S/C14H10Cl2O2/c1-8-6-13(17)10(7-12(8)16)14(18)9-4-2-3-5-11(9)15/h2-7,17H,1H3
InChIKey
CPVBZQZTHLHWLI-UHFFFAOYSA-N
Compound name
(5-chloro-2-hydroxy-4-methylphenyl)-(2-chlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

280.0058 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.01308 155.5
[M+Na]+ 302.99502 166.6
[M-H]- 278.99852 161.2
[M+NH4]+ 298.03962 172.7
[M+K]+ 318.96896 159.9
[M+H-H2O]+ 263.00306 150.8
[M+HCOO]- 325.00400 168.5
[M+CH3COO]- 339.01965 196.5
[M+Na-2H]- 300.98047 158.1
[M]+ 280.00525 159.5
[M]- 280.00635 159.5
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