CID 212284

4-(allyloxy)-3,5-dichlorobenzoic acid 2-isopropylhydrazide monohydrochloride

Structural Information

Molecular Formula
C13H16Cl2N2O2
SMILES
CC(C)NNC(=O)C1=CC(=C(C(=C1)Cl)OCC=C)Cl
InChI
InChI=1S/C13H16Cl2N2O2/c1-4-5-19-12-10(14)6-9(7-11(12)15)13(18)17-16-8(2)3/h4,6-8,16H,1,5H2,2-3H3,(H,17,18)
InChIKey
VZIPLZLFFMVGLI-UHFFFAOYSA-N
Compound name
3,5-dichloro-N'-propan-2-yl-4-prop-2-enoxybenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.05887 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.06615 167.2
[M+Na]+ 325.04809 175.2
[M-H]- 301.05159 170.4
[M+NH4]+ 320.09269 183.6
[M+K]+ 341.02203 169.6
[M+H-H2O]+ 285.05613 162.6
[M+HCOO]- 347.05707 181.8
[M+CH3COO]- 361.07272 208.2
[M+Na-2H]- 323.03354 168.0
[M]+ 302.05832 171.6
[M]- 302.05942 171.6
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.