CID 16772759

926221-68-3

Structural Information

Molecular Formula
C10H13ClN2O
SMILES
CC(C)NC(=O)C1=CC(=C(C=C1)Cl)N
InChI
InChI=1S/C10H13ClN2O/c1-6(2)13-10(14)7-3-4-8(11)9(12)5-7/h3-6H,12H2,1-2H3,(H,13,14)
InChIKey
HUSJCHWWMFRTEK-UHFFFAOYSA-N
Compound name
3-amino-4-chloro-N-propan-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.07164 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07892 145.7
[M+Na]+ 235.06086 157.1
[M+NH4]+ 230.10546 153.7
[M+K]+ 251.03480 151.3
[M-H]- 211.06436 148.3
[M+Na-2H]- 233.04631 151.4
[M]+ 212.07109 148.1
[M]- 212.07219 148.1
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

No patent data available for this compound.