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]+ 303.066146 167.2
[M+Na]+ 325.048088 175.2
[M-H]- 301.051594 170.4
[M+NH4]+ 320.092693 183.6
[M+K]+ 341.022028 169.6
[M+H-H2O]+ 285.056130 162.6
[M+HCOO]- 347.057071 181.8
[M+CH3COO]- 361.072721 208.2
[M+Na-2H]- 323.033536 168.0
[M]+ 302.05832142 171.6
[M]- 302.05941858 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.