CID 222444

2-chloro-n-(2-chlorophenyl)acetamide

Structural Information

Molecular Formula
C8H7Cl2NO
SMILES
C1=CC=C(C(=C1)NC(=O)CCl)Cl
InChI
InChI=1S/C8H7Cl2NO/c9-5-8(12)11-7-4-2-1-3-6(7)10/h1-4H,5H2,(H,11,12)
InChIKey
OPZKPLRTPWUXRN-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-chlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

90
Patents

202.99046 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.99774 138.1
[M+Na]+ 225.97968 147.3
[M-H]- 201.98318 141.3
[M+NH4]+ 221.02428 158.3
[M+K]+ 241.95362 142.3
[M+H-H2O]+ 185.98772 134.2
[M+HCOO]- 247.98866 153.8
[M+CH3COO]- 262.00431 184.1
[M+Na-2H]- 223.96513 143.9
[M]+ 202.98991 140.4
[M]- 202.99101 140.4
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