CID 80184

Salicylic acid, chloroacetate

Structural Information

Molecular Formula
C9H7ClO4
SMILES
C1=CC=C(C(=C1)C(=O)O)OC(=O)CCl
InChI
InChI=1S/C9H7ClO4/c10-5-8(11)14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H,12,13)
InChIKey
LAZUHOPLTJOKNS-UHFFFAOYSA-N
Compound name
2-(2-chloroacetyl)oxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

214.00328 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.01056 138.8
[M+Na]+ 236.99250 147.5
[M-H]- 212.99600 141.6
[M+NH4]+ 232.03710 157.6
[M+K]+ 252.96644 144.7
[M+H-H2O]+ 197.00054 134.4
[M+HCOO]- 259.00148 156.8
[M+CH3COO]- 273.01713 181.1
[M+Na-2H]- 234.97795 143.2
[M]+ 214.00273 142.4
[M]- 214.00383 142.4
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