CID 11644044

2-amino-5-chloro-3-methylbenzoic acid

Structural Information

Molecular Formula
C8H8ClNO2
SMILES
CC1=CC(=CC(=C1N)C(=O)O)Cl
InChI
InChI=1S/C8H8ClNO2/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3H,10H2,1H3,(H,11,12)
InChIKey
KOPXCQUAFDWYOE-UHFFFAOYSA-N
Compound name
2-amino-5-chloro-3-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

626
Patents

185.02435 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.03163 134.7
[M+Na]+ 208.01357 147.5
[M+NH4]+ 203.05817 142.8
[M+K]+ 223.98751 142.1
[M-H]- 184.01707 136.4
[M+Na-2H]- 205.99902 140.4
[M]+ 185.02380 137.1
[M]- 185.02490 137.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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