CID 212204

Benzoic acid, 4-(allyloxy)-3,5-dichloro-, 2-benzylhydrazide, monohydrochloride

Structural Information

Molecular Formula
C17H16Cl2N2O2
SMILES
C=CCOC1=C(C=C(C=C1Cl)C(=O)NNCC2=CC=CC=C2)Cl
InChI
InChI=1S/C17H16Cl2N2O2/c1-2-8-23-16-14(18)9-13(10-15(16)19)17(22)21-20-11-12-6-4-3-5-7-12/h2-7,9-10,20H,1,8,11H2,(H,21,22)
InChIKey
GMPMLIPHBYJYFW-UHFFFAOYSA-N
Compound name
N'-benzyl-3,5-dichloro-4-prop-2-enoxybenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.05887 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.06615 179.6
[M+Na]+ 373.04809 187.4
[M-H]- 349.05159 185.4
[M+NH4]+ 368.09269 193.5
[M+K]+ 389.02203 180.1
[M+H-H2O]+ 333.05613 172.9
[M+HCOO]- 395.05707 195.2
[M+CH3COO]- 409.07272 214.9
[M+Na-2H]- 371.03354 182.0
[M]+ 350.05832 183.9
[M]- 350.05942 183.9
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.