CID 11996451

Methylenedisalicylic acid

Structural Information

Molecular Formula
C15H12O6
SMILES
C1=CC=C(C(=C1)C(=O)O)OCOC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C15H12O6/c16-14(17)10-5-1-3-7-12(10)20-9-21-13-8-4-2-6-11(13)15(18)19/h1-8H,9H2,(H,16,17)(H,18,19)
InChIKey
SWHSXWLSBBYLGM-UHFFFAOYSA-N
Compound name
2-[(2-carboxyphenoxy)methoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

1186
Patents

288.0634 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07068 160.8
[M+Na]+ 311.05262 167.2
[M-H]- 287.05612 165.1
[M+NH4]+ 306.09722 174.3
[M+K]+ 327.02656 165.0
[M+H-H2O]+ 271.06066 153.2
[M+HCOO]- 333.06160 181.4
[M+CH3COO]- 347.07725 195.2
[M+Na-2H]- 309.03807 163.8
[M]+ 288.06285 163.2
[M]- 288.06395 163.2
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