CID 79612

N-(3,4-dichlorophenyl)formamide

Structural Information

Molecular Formula
C7H5Cl2NO
SMILES
C1=CC(=C(C=C1NC=O)Cl)Cl
InChI
InChI=1S/C7H5Cl2NO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-4H,(H,10,11)
InChIKey
WTKFBCXCSGVNOE-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

200
Patents

188.97482 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.982096 133.0
[M+Na]+ 211.964038 143.7
[M-H]- 187.967544 136.5
[M+NH4]+ 207.008643 154.0
[M+K]+ 227.937978 138.6
[M+H-H2O]+ 171.972080 129.5
[M+HCOO]- 233.973021 149.9
[M+CH3COO]- 247.988671 182.1
[M+Na-2H]- 209.949486 139.8
[M]+ 188.97427142 135.9
[M]- 188.97536858 135.9
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

patents stripe