CID 9578554

Benzoic acid, 3,5-dichloro-4-ethoxy-, 2-propylidenehydrazide

Structural Information

Molecular Formula
C12H14Cl2N2O2
SMILES
CC/C=N/NC(=O)C1=CC(=C(C(=C1)Cl)OCC)Cl
InChI
InChI=1S/C12H14Cl2N2O2/c1-3-5-15-16-12(17)8-6-9(13)11(18-4-2)10(14)7-8/h5-7H,3-4H2,1-2H3,(H,16,17)/b15-5+
InChIKey
VLQXLBXKNWFCDG-PJQLUOCWSA-N
Compound name
3,5-dichloro-4-ethoxy-N-[(E)-propylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.04324 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.050516 163.0
[M+Na]+ 311.032458 172.1
[M-H]- 287.035964 167.6
[M+NH4]+ 306.077063 180.7
[M+K]+ 327.006398 167.2
[M+H-H2O]+ 271.040500 158.0
[M+HCOO]- 333.041441 180.3
[M+CH3COO]- 347.057091 206.2
[M+Na-2H]- 309.017906 165.9
[M]+ 288.04269142 169.4
[M]- 288.04378858 169.4
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.