CID 18427670

150356-30-2

Structural Information

Molecular Formula
C15H10O5
SMILES
C1OC2=C(O1)C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O
InChI
InChI=1S/C15H10O5/c16-14(10-3-1-2-4-11(10)15(17)18)9-5-6-12-13(7-9)20-8-19-12/h1-7H,8H2,(H,17,18)
InChIKey
HTSJABOLWANPAN-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxole-5-carbonyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

270.05283 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06011 156.7
[M+Na]+ 293.04205 164.4
[M-H]- 269.04555 164.8
[M+NH4]+ 288.08665 172.0
[M+K]+ 309.01599 163.8
[M+H-H2O]+ 253.05009 150.6
[M+HCOO]- 315.05103 175.9
[M+CH3COO]- 329.06668 193.8
[M+Na-2H]- 291.02750 161.2
[M]+ 270.05228 159.1
[M]- 270.05338 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

No literature data available for this compound.

Patent stripe

patents stripe