CID 37208

N-(2,2-dichloro-1-hydroxyethyl)benzamide

Structural Information

Molecular Formula
C9H9Cl2NO2
SMILES
C1=CC=C(C=C1)C(=O)NC(C(Cl)Cl)O
InChI
InChI=1S/C9H9Cl2NO2/c10-7(11)9(14)12-8(13)6-4-2-1-3-5-6/h1-5,7,9,14H,(H,12,13)
InChIKey
MLVRDFMUHOFHEN-UHFFFAOYSA-N
Compound name
N-(2,2-dichloro-1-hydroxyethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.00104 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.008316 145.1
[M+Na]+ 255.990258 151.9
[M-H]- 231.993764 146.7
[M+NH4]+ 251.034863 162.9
[M+K]+ 271.964198 147.4
[M+H-H2O]+ 215.998300 141.2
[M+HCOO]- 277.999241 157.4
[M+CH3COO]- 292.014891 187.2
[M+Na-2H]- 253.975706 148.3
[M]+ 233.00049142 145.9
[M]- 233.00158858 145.9
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.