CID 212206

Benzoic acid, 3,5-dichloro-4-isobutoxy-, 2-isopropylhydrazide, monohydrochloride

Structural Information

Molecular Formula
C14H20Cl2N2O2
SMILES
CC(C)COC1=C(C=C(C=C1Cl)C(=O)NNC(C)C)Cl
InChI
InChI=1S/C14H20Cl2N2O2/c1-8(2)7-20-13-11(15)5-10(6-12(13)16)14(19)18-17-9(3)4/h5-6,8-9,17H,7H2,1-4H3,(H,18,19)
InChIKey
LKQROSZNNKCWRS-UHFFFAOYSA-N
Compound name
3,5-dichloro-4-(2-methylpropoxy)-N'-propan-2-ylbenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.09018 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.097456 172.4
[M+Na]+ 341.079398 179.4
[M-H]- 317.082904 175.5
[M+NH4]+ 336.124003 188.2
[M+K]+ 357.053338 174.8
[M+H-H2O]+ 301.087440 167.7
[M+HCOO]- 363.088381 185.6
[M+CH3COO]- 377.104031 212.9
[M+Na-2H]- 339.064846 171.6
[M]+ 318.08963142 177.4
[M]- 318.09072858 177.4
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.