CID 3848878

2-(5-chloro-2-hydroxybenzoyl)benzoic acid

Structural Information

Molecular Formula
C14H9ClO4
SMILES
C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Cl)O)C(=O)O
InChI
InChI=1S/C14H9ClO4/c15-8-5-6-12(16)11(7-8)13(17)9-3-1-2-4-10(9)14(18)19/h1-7,16H,(H,18,19)
InChIKey
QJZKSSHNNWOENF-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-hydroxybenzoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

276.01895 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.02623 155.1
[M+Na]+ 299.00817 164.2
[M-H]- 275.01167 160.0
[M+NH4]+ 294.05277 170.7
[M+K]+ 314.98211 159.1
[M+H-H2O]+ 259.01621 149.6
[M+HCOO]- 321.01715 171.3
[M+CH3COO]- 335.03280 192.8
[M+Na-2H]- 296.99362 157.6
[M]+ 276.01840 157.2
[M]- 276.01950 157.2
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