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]+ 213.078916 146.6
[M+Na]+ 235.060858 154.4
[M-H]- 211.064364 150.1
[M+NH4]+ 230.105463 165.7
[M+K]+ 251.034798 150.7
[M+H-H2O]+ 195.068900 141.5
[M+HCOO]- 257.069841 166.2
[M+CH3COO]- 271.085491 191.8
[M+Na-2H]- 233.046306 149.2
[M]+ 212.07109142 146.6
[M]- 212.07218858 146.6
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.