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]+ 351.066146 179.6
[M+Na]+ 373.048088 187.4
[M-H]- 349.051594 185.4
[M+NH4]+ 368.092693 193.5
[M+K]+ 389.022028 180.1
[M+H-H2O]+ 333.056130 172.9
[M+HCOO]- 395.057071 195.2
[M+CH3COO]- 409.072721 214.9
[M+Na-2H]- 371.033536 182.0
[M]+ 350.05832142 183.9
[M]- 350.05941858 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.