CID 338

Salicylic acid

Structural Information

Molecular Formula
C7H6O3
SMILES
C1=CC=C(C(=C1)C(=O)O)O
InChI
InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
InChIKey
YGSDEFSMJLZEOE-UHFFFAOYSA-N
Compound name
2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

25976
References

199724
Patents

138.0317 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.03898 123.7
[M+Na]+ 161.02092 132.0
[M-H]- 137.02442 125.3
[M+NH4]+ 156.06552 144.1
[M+K]+ 176.99486 130.3
[M+H-H2O]+ 121.02896 119.0
[M+HCOO]- 183.02990 145.9
[M+CH3COO]- 197.04555 167.2
[M+Na-2H]- 159.00637 130.1
[M]+ 138.03115 122.5
[M]- 138.03225 122.5
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.