CID 13411358

N-(3,4-dichlorophenyl)prop-2-enamide

Structural Information

Molecular Formula
C9H7Cl2NO
SMILES
C=CC(=O)NC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C9H7Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h2-5H,1H2,(H,12,13)
InChIKey
ZILCCQUWYBKBCX-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

214.99046 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.99774 141.3
[M+Na]+ 237.97968 151.3
[M-H]- 213.98318 144.8
[M+NH4]+ 233.02428 161.3
[M+K]+ 253.95362 145.6
[M+H-H2O]+ 197.98772 137.6
[M+HCOO]- 259.98866 156.9
[M+CH3COO]- 274.00431 187.4
[M+Na-2H]- 235.96513 145.9
[M]+ 214.98991 143.7
[M]- 214.99101 143.7
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

patents stripe