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

2090
Patents

244.07356 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.080836 152.2
[M+Na]+ 267.062778 159.6
[M-H]- 243.066284 156.7
[M+NH4]+ 262.107383 168.1
[M+K]+ 283.036718 156.3
[M+H-H2O]+ 227.070820 145.3
[M+HCOO]- 289.071761 173.7
[M+CH3COO]- 303.087411 186.9
[M+Na-2H]- 265.048226 156.8
[M]+ 244.07301142 152.7
[M]- 244.07410858 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

literature stripe

Patent stripe

patents stripe