CID 700493

Methyl 4-amino-5-chloro-2-methoxybenzoate

Structural Information

Molecular Formula
C9H10ClNO3
SMILES
COC1=CC(=C(C=C1C(=O)OC)Cl)N
InChI
InChI=1S/C9H10ClNO3/c1-13-8-4-7(11)6(10)3-5(8)9(12)14-2/h3-4H,11H2,1-2H3
InChIKey
ALYQFGBPEGLBLW-UHFFFAOYSA-N
Compound name
methyl 4-amino-5-chloro-2-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

352
Patents

215.03493 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.042206 141.7
[M+Na]+ 238.024148 151.8
[M-H]- 214.027654 145.8
[M+NH4]+ 233.068753 161.4
[M+K]+ 253.998088 149.1
[M+H-H2O]+ 198.032190 137.1
[M+HCOO]- 260.033131 162.1
[M+CH3COO]- 274.048781 188.3
[M+Na-2H]- 236.009596 145.4
[M]+ 215.03438142 146.0
[M]- 215.03547858 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe