CID 20885

Cyasorb

Structural Information

Molecular Formula
C15H12O5
SMILES
COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O
InChI
InChI=1S/C15H12O5/c1-20-9-6-7-12(13(16)8-9)14(17)10-4-2-3-5-11(10)15(18)19/h2-8,16H,1H3,(H,18,19)
InChIKey
JLZIIHMTTRXXIN-UHFFFAOYSA-N
Compound name
2-(2-hydroxy-4-methoxybenzoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

13243
Patents

272.06848 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.075756 157.6
[M+Na]+ 295.057698 165.2
[M-H]- 271.061204 162.3
[M+NH4]+ 290.102303 172.2
[M+K]+ 311.031638 162.4
[M+H-H2O]+ 255.065740 150.6
[M+HCOO]- 317.066681 178.0
[M+CH3COO]- 331.082331 194.2
[M+Na-2H]- 293.043146 159.8
[M]+ 272.06793142 159.1
[M]- 272.06902858 159.1
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