CID 35857

2,2-dichloro-n-phenylacetamide

Structural Information

Molecular Formula
C8H7Cl2NO
SMILES
C1=CC=C(C=C1)NC(=O)C(Cl)Cl
InChI
InChI=1S/C8H7Cl2NO/c9-7(10)8(12)11-6-4-2-1-3-5-6/h1-5,7H,(H,11,12)
InChIKey
KJSVAEGLTPBKAA-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

105
Patents

202.99046 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.99774 138.3
[M+Na]+ 225.97968 146.2
[M-H]- 201.98318 141.2
[M+NH4]+ 221.02428 158.1
[M+K]+ 241.95362 141.7
[M+H-H2O]+ 185.98772 134.2
[M+HCOO]- 247.98866 153.0
[M+CH3COO]- 262.00431 183.9
[M+Na-2H]- 223.96513 143.6
[M]+ 202.98991 139.6
[M]- 202.99101 139.6
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