CID 78331

2-(benzoyloxy)benzoic acid

Structural Information

Molecular Formula
C14H10O4
SMILES
C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C14H10O4/c15-13(16)11-8-4-5-9-12(11)18-14(17)10-6-2-1-3-7-10/h1-9H,(H,15,16)
InChIKey
QSOVSKMNRYAVJR-UHFFFAOYSA-N
Compound name
2-benzoyloxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

516
Patents

242.0579 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.065176 151.0
[M+Na]+ 265.047118 157.9
[M-H]- 241.050624 156.6
[M+NH4]+ 260.091723 167.2
[M+K]+ 281.021058 155.3
[M+H-H2O]+ 225.055160 143.8
[M+HCOO]- 287.056101 173.2
[M+CH3COO]- 301.071751 188.3
[M+Na-2H]- 263.032566 155.5
[M]+ 242.05735142 151.6
[M]- 242.05844858 151.6
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