CID 6510256

Brn 3551898

Structural Information

Molecular Formula
C12H14Cl2N2O
SMILES
CC(C)C(=O)N/N=C(/C)\C1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C12H14Cl2N2O/c1-7(2)12(17)16-15-8(3)10-5-4-9(13)6-11(10)14/h4-7H,1-3H3,(H,16,17)/b15-8-
InChIKey
YZWLRGZBJBPGMJ-NVNXTCNLSA-N
Compound name
N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.0483 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.05558 160.3
[M+Na]+ 295.03752 168.1
[M-H]- 271.04102 164.7
[M+NH4]+ 290.08212 178.3
[M+K]+ 311.01146 163.5
[M+H-H2O]+ 255.04556 155.6
[M+HCOO]- 317.04650 175.5
[M+CH3COO]- 331.06215 204.7
[M+Na-2H]- 293.02297 161.5
[M]+ 272.04775 163.8
[M]- 272.04885 163.8
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

No patent data available for this compound.