CID 21881965

Salicyl salicylate

Structural Information

Molecular Formula
C14H12O4
SMILES
C1=CC=C(C(=C1)COC(=O)C2=CC=CC=C2O)O
InChI
InChI=1S/C14H12O4/c15-12-7-3-1-5-10(12)9-18-14(17)11-6-2-4-8-13(11)16/h1-8,15-16H,9H2
InChIKey
FOWYXDHUQGHPRA-UHFFFAOYSA-N
Compound name
(2-hydroxyphenyl)methyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

176
References

2025
Patents

244.07356 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08084 152.2
[M+Na]+ 267.06278 159.6
[M-H]- 243.06628 156.7
[M+NH4]+ 262.10738 168.1
[M+K]+ 283.03672 156.3
[M+H-H2O]+ 227.07082 145.3
[M+HCOO]- 289.07176 173.7
[M+CH3COO]- 303.08741 186.9
[M+Na-2H]- 265.04823 156.8
[M]+ 244.07301 152.7
[M]- 244.07411 152.7
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

No patent data available for this compound.