CID 143933

62662-74-2

Structural Information

Molecular Formula
C11H14ClNO
SMILES
CC(C)(C)C(=O)NC1=CC=CC=C1Cl
InChI
InChI=1S/C11H14ClNO/c1-11(2,3)10(14)13-9-7-5-4-6-8(9)12/h4-7H,1-3H3,(H,13,14)
InChIKey
XJDANTDMTCZGNQ-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

211.07639 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.083666 145.9
[M+Na]+ 234.065608 154.0
[M-H]- 210.069114 149.8
[M+NH4]+ 229.110213 165.8
[M+K]+ 250.039548 150.4
[M+H-H2O]+ 194.073650 141.4
[M+HCOO]- 256.074591 164.3
[M+CH3COO]- 270.090241 188.1
[M+Na-2H]- 232.051056 151.6
[M]+ 211.07584142 147.7
[M]- 211.07693858 147.7
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