CID 13287887

Ethyl 4-amino-2-chlorobenzoate

Structural Information

Molecular Formula
C9H10ClNO2
SMILES
CCOC(=O)C1=C(C=C(C=C1)N)Cl
InChI
InChI=1S/C9H10ClNO2/c1-2-13-9(12)7-4-3-6(11)5-8(7)10/h3-5H,2,11H2,1H3
InChIKey
RAIGEAVXXPZKJB-UHFFFAOYSA-N
Compound name
ethyl 4-amino-2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

199.04001 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.047286 139.6
[M+Na]+ 222.029228 148.9
[M-H]- 198.032734 143.3
[M+NH4]+ 217.073833 159.7
[M+K]+ 238.003168 145.5
[M+H-H2O]+ 182.037270 134.9
[M+HCOO]- 244.038211 159.7
[M+CH3COO]- 258.053861 185.0
[M+Na-2H]- 220.014676 143.9
[M]+ 199.03946142 142.0
[M]- 199.04055858 142.0
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