CID 10536658

4-amino-5-chloro-2-ethoxybenzoic acid

Structural Information

Molecular Formula
C9H10ClNO3
SMILES
CCOC1=CC(=C(C=C1C(=O)O)Cl)N
InChI
InChI=1S/C9H10ClNO3/c1-2-14-8-4-7(11)6(10)3-5(8)9(12)13/h3-4H,2,11H2,1H3,(H,12,13)
InChIKey
XWGYOMHQGQZRLC-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-2-ethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

128
Patents

215.03493 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.04221 142.1
[M+Na]+ 238.02415 151.6
[M-H]- 214.02765 144.7
[M+NH4]+ 233.06875 160.9
[M+K]+ 253.99809 148.0
[M+H-H2O]+ 198.03219 137.6
[M+HCOO]- 260.03313 160.9
[M+CH3COO]- 274.04878 186.5
[M+Na-2H]- 236.00960 145.2
[M]+ 215.03438 144.5
[M]- 215.03548 144.5
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