CID 522515

7396-92-1

Structural Information

Molecular Formula
C13H8Cl2O2
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C(=CC(=C2)Cl)Cl)O
InChI
InChI=1S/C13H8Cl2O2/c14-9-6-10(13(17)11(15)7-9)12(16)8-4-2-1-3-5-8/h1-7,17H
InChIKey
KQEKLTCGLCEOFY-UHFFFAOYSA-N
Compound name
(3,5-dichloro-2-hydroxyphenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

265.99014 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.997416 151.4
[M+Na]+ 288.979358 162.0
[M-H]- 264.982864 156.9
[M+NH4]+ 284.023963 168.9
[M+K]+ 304.953298 155.5
[M+H-H2O]+ 248.987400 146.7
[M+HCOO]- 310.988341 164.7
[M+CH3COO]- 325.003991 192.3
[M+Na-2H]- 286.964806 155.2
[M]+ 265.98959142 154.6
[M]- 265.99068858 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe