CID 43167679

4-amino-2-chloro-n-(2-hydroxyethyl)benzamide

Structural Information

Molecular Formula
C9H11ClN2O2
SMILES
C1=CC(=C(C=C1N)Cl)C(=O)NCCO
InChI
InChI=1S/C9H11ClN2O2/c10-8-5-6(11)1-2-7(8)9(14)12-3-4-13/h1-2,5,13H,3-4,11H2,(H,12,14)
InChIKey
HDEMAFTVHUIAPM-UHFFFAOYSA-N
Compound name
4-amino-2-chloro-N-(2-hydroxyethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.0509 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.05818 144.6
[M+Na]+ 237.04012 152.5
[M-H]- 213.04362 146.8
[M+NH4]+ 232.08472 162.9
[M+K]+ 253.01406 148.2
[M+H-H2O]+ 197.04816 139.7
[M+HCOO]- 259.04910 164.2
[M+CH3COO]- 273.06475 187.6
[M+Na-2H]- 235.02557 148.6
[M]+ 214.05035 144.4
[M]- 214.05145 144.4
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