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 154.4
[M+Na]+ 293.02187 166.9
[M+NH4]+ 288.06647 159.4
[M+K]+ 308.99581 156.9
[M-H]- 269.02537 149.8
[M+Na-2H]- 291.00732 158.3
[M]+ 270.03210 154.6
[M]- 270.03320 154.6
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