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]+ 319.09746 172.4
[M+Na]+ 341.07940 179.4
[M-H]- 317.08290 175.5
[M+NH4]+ 336.12400 188.2
[M+K]+ 357.05334 174.8
[M+H-H2O]+ 301.08744 167.7
[M+HCOO]- 363.08838 185.6
[M+CH3COO]- 377.10403 212.9
[M+Na-2H]- 339.06485 171.6
[M]+ 318.08963 177.4
[M]- 318.09073 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.