CID 9578551

Benzoic acid, 3,5-dichloro-4-methoxy-, 2-isobutylidenehydrazide

Structural Information

Molecular Formula
C12H14Cl2N2O2
SMILES
CC(C)/C=N/NC(=O)C1=CC(=C(C(=C1)Cl)OC)Cl
InChI
InChI=1S/C12H14Cl2N2O2/c1-7(2)6-15-16-12(17)8-4-9(13)11(18-3)10(14)5-8/h4-7H,1-3H3,(H,16,17)/b15-6+
InChIKey
VQXDWQCKEDNUKM-GIDUJCDVSA-N
Compound name
3,5-dichloro-4-methoxy-N-[(E)-2-methylpropylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.04324 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.05052 162.7
[M+Na]+ 311.03246 171.6
[M-H]- 287.03596 167.5
[M+NH4]+ 306.07706 180.4
[M+K]+ 327.00640 167.2
[M+H-H2O]+ 271.04050 158.0
[M+HCOO]- 333.04144 179.1
[M+CH3COO]- 347.05709 207.1
[M+Na-2H]- 309.01791 164.5
[M]+ 288.04269 168.6
[M]- 288.04379 168.6
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

No patent data available for this compound.