CID 25323361

2-chloro-n-(4-chloro-3-methylphenyl)-n-(2-cyanoethyl)acetamide

Structural Information

Molecular Formula
C12H12Cl2N2O
SMILES
CC1=C(C=CC(=C1)N(CCC#N)C(=O)CCl)Cl
InChI
InChI=1S/C12H12Cl2N2O/c1-9-7-10(3-4-11(9)14)16(6-2-5-15)12(17)8-13/h3-4,7H,2,6,8H2,1H3
InChIKey
QSEAHGVSAVAQEV-UHFFFAOYSA-N
Compound name
2-chloro-N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

270.03265 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.03993 159.3
[M+Na]+ 293.02187 170.1
[M-H]- 269.02537 163.2
[M+NH4]+ 288.06647 175.9
[M+K]+ 308.99581 164.5
[M+H-H2O]+ 253.02991 148.3
[M+HCOO]- 315.03085 171.6
[M+CH3COO]- 329.04650 211.7
[M+Na-2H]- 291.00732 161.3
[M]+ 270.03210 159.2
[M]- 270.03320 159.2
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