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
2
Annotation Hits

0
References

199
Patents

214.00328 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.010556 138.8
[M+Na]+ 236.992498 147.5
[M-H]- 212.996004 141.6
[M+NH4]+ 232.037103 157.6
[M+K]+ 252.966438 144.7
[M+H-H2O]+ 197.000540 134.4
[M+HCOO]- 259.001481 156.8
[M+CH3COO]- 273.017131 181.1
[M+Na-2H]- 234.977946 143.2
[M]+ 214.00273142 142.4
[M]- 214.00382858 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