CID 242816

Nsc51751

Structural Information

Molecular Formula
C9H8Cl3NO
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)C(CCl)Cl
InChI
InChI=1S/C9H8Cl3NO/c10-5-8(12)9(14)13-7-3-1-2-6(11)4-7/h1-4,8H,5H2,(H,13,14)
InChIKey
AESUYRPKXZFOSC-UHFFFAOYSA-N
Compound name
2,3-dichloro-N-(3-chlorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.96715 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.974426 148.4
[M+Na]+ 273.956368 156.8
[M-H]- 249.959874 150.3
[M+NH4]+ 269.000973 166.5
[M+K]+ 289.930308 151.1
[M+H-H2O]+ 233.964410 145.1
[M+HCOO]- 295.965351 157.4
[M+CH3COO]- 309.981001 193.3
[M+Na-2H]- 271.941816 151.4
[M]+ 250.96660142 150.7
[M]- 250.96769858 150.7
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.