CID 843322

N-(2,2-dichloro-1-cyanoethenyl)-4-methylbenzamide

Structural Information

Molecular Formula
C11H8Cl2N2O
SMILES
CC1=CC=C(C=C1)C(=O)NC(=C(Cl)Cl)C#N
InChI
InChI=1S/C11H8Cl2N2O/c1-7-2-4-8(5-3-7)11(16)15-9(6-14)10(12)13/h2-5H,1H3,(H,15,16)
InChIKey
NAZVTDQQLCHPDT-UHFFFAOYSA-N
Compound name
N-(2,2-dichloro-1-cyanoethenyl)-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

254.00137 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.008646 158.1
[M+Na]+ 276.990588 168.2
[M-H]- 252.994094 160.8
[M+NH4]+ 272.035193 174.3
[M+K]+ 292.964528 161.8
[M+H-H2O]+ 236.998630 147.5
[M+HCOO]- 298.999571 168.6
[M+CH3COO]- 313.015221 205.2
[M+Na-2H]- 274.976036 159.4
[M]+ 254.00082142 154.4
[M]- 254.00191858 154.4
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

No patent data available for this compound.