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

195
Patents

188.97482 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.98210 133.0
[M+Na]+ 211.96404 143.7
[M-H]- 187.96754 136.5
[M+NH4]+ 207.00864 154.0
[M+K]+ 227.93798 138.6
[M+H-H2O]+ 171.97208 129.5
[M+HCOO]- 233.97302 149.9
[M+CH3COO]- 247.98867 182.1
[M+Na-2H]- 209.94949 139.8
[M]+ 188.97427 135.9
[M]- 188.97537 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