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]+ 234.00832 146.2
[M+Na]+ 255.99026 157.8
[M+NH4]+ 251.03486 154.1
[M+K]+ 271.96420 152.2
[M-H]- 231.99376 147.3
[M+Na-2H]- 253.97571 152.0
[M]+ 233.00049 148.5
[M]- 233.00159 148.5
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.