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]+ 216.04221 142.6
[M+Na]+ 238.02415 151.4
[M-H]- 214.02765 144.9
[M+NH4]+ 233.06875 161.3
[M+K]+ 253.99809 147.7
[M+H-H2O]+ 198.03219 138.0
[M+HCOO]- 260.03313 161.5
[M+CH3COO]- 274.04878 184.6
[M+Na-2H]- 236.00960 146.5
[M]+ 215.03438 144.6
[M]- 215.03548 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.