CID 6510256

Isobutyric acid, (2,4-dichloro-alpha-methylbenzylidene)hydrazide

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]+ 273.055576 160.3
[M+Na]+ 295.037518 168.1
[M-H]- 271.041024 164.7
[M+NH4]+ 290.082123 178.3
[M+K]+ 311.011458 163.5
[M+H-H2O]+ 255.045560 155.6
[M+HCOO]- 317.046501 175.5
[M+CH3COO]- 331.062151 204.7
[M+Na-2H]- 293.022966 161.5
[M]+ 272.04775142 163.8
[M]- 272.04884858 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.