CID 374560

Nsc652534

Structural Information

Molecular Formula
C15H8Cl2O7
SMILES
C1=C(C=C(C(=C1C(=O)O)O)Cl)C(=O)C2=CC(=C(C(=C2)Cl)O)C(=O)O
InChI
InChI=1S/C15H8Cl2O7/c16-9-3-5(1-7(12(9)19)14(21)22)11(18)6-2-8(15(23)24)13(20)10(17)4-6/h1-4,19-20H,(H,21,22)(H,23,24)
InChIKey
HNXQOJNARIRRDW-UHFFFAOYSA-N
Compound name
5-(3-carboxy-5-chloro-4-hydroxybenzoyl)-3-chloro-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

369.96472 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.97200 166.6
[M+Na]+ 392.95394 176.6
[M-H]- 368.95744 169.4
[M+NH4]+ 387.99854 178.0
[M+K]+ 408.92788 171.6
[M+H-H2O]+ 352.96198 163.0
[M+HCOO]- 414.96292 174.6
[M+CH3COO]- 428.97857 207.0
[M+Na-2H]- 390.93939 164.8
[M]+ 369.96417 171.4
[M]- 369.96527 171.4
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