CID 639988

2-chloro-n-(1-hydroxy-2-methylpropan-2-yl)benzamide

Structural Information

Molecular Formula
C11H14ClNO2
SMILES
CC(C)(CO)NC(=O)C1=CC=CC=C1Cl
InChI
InChI=1S/C11H14ClNO2/c1-11(2,7-14)13-10(15)8-5-3-4-6-9(8)12/h3-6,14H,7H2,1-2H3,(H,13,15)
InChIKey
IAVRHUODHWYNHT-UHFFFAOYSA-N
Compound name
2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.0713 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.07858 149.1
[M+Na]+ 250.06052 156.6
[M-H]- 226.06402 151.5
[M+NH4]+ 245.10512 167.4
[M+K]+ 266.03446 152.6
[M+H-H2O]+ 210.06856 144.6
[M+HCOO]- 272.06950 166.1
[M+CH3COO]- 286.08515 188.2
[M+Na-2H]- 248.04597 154.4
[M]+ 227.07075 150.5
[M]- 227.07185 150.5
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.