CID 18001109

Ethyl 2-amino-5-chloro-3-hydroxybenzoate

Structural Information

Molecular Formula
C9H10ClNO3
SMILES
CCOC(=O)C1=C(C(=CC(=C1)Cl)O)N
InChI
InChI=1S/C9H10ClNO3/c1-2-14-9(13)6-3-5(10)4-7(12)8(6)11/h3-4,12H,2,11H2,1H3
InChIKey
VAMBURGWOHFXGE-UHFFFAOYSA-N
Compound name
ethyl 2-amino-5-chloro-3-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

215.03493 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.042206 142.3
[M+Na]+ 238.024148 152.0
[M-H]- 214.027654 145.0
[M+NH4]+ 233.068753 161.3
[M+K]+ 253.998088 148.4
[M+H-H2O]+ 198.032190 137.9
[M+HCOO]- 260.033131 161.2
[M+CH3COO]- 274.048781 185.8
[M+Na-2H]- 236.009596 145.5
[M]+ 215.03438142 144.7
[M]- 215.03547858 144.7
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