CID 204807

Salicylic acid, amino-, 2-chloroethyl ester

Structural Information

Molecular Formula
C9H10ClNO3
SMILES
C1=CC(=C(C=C1N)O)C(=O)OCCCl
InChI
InChI=1S/C9H10ClNO3/c10-3-4-14-9(13)7-2-1-6(11)5-8(7)12/h1-2,5,12H,3-4,11H2
InChIKey
OFMMLIDYEKDFSV-UHFFFAOYSA-N
Compound name
2-chloroethyl 4-amino-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.03493 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.042206 142.6
[M+Na]+ 238.024148 151.4
[M-H]- 214.027654 144.9
[M+NH4]+ 233.068753 161.3
[M+K]+ 253.998088 147.7
[M+H-H2O]+ 198.032190 138.0
[M+HCOO]- 260.033131 161.5
[M+CH3COO]- 274.048781 184.6
[M+Na-2H]- 236.009596 146.5
[M]+ 215.03438142 144.6
[M]- 215.03547858 144.6
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.