CID 7131777

4-tert-butyl-n'-(2-chloroacetyl)benzohydrazide

Structural Information

Molecular Formula

C₁₃H₁₇ClN₂O₂

SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)CCl

InChI

InChI=1S/C13H17ClN2O2/c1-13(2,3)10-6-4-9(5-7-10)12(18)16-15-11(17)8-14/h4-7H,8H2,1-3H3,(H,15,17)(H,16,18)

InChIKey

YYEKYRASPNSQDE-UHFFFAOYSA-N

Compound name

4-tert-butyl-N'-(2-chloroacetyl)benzohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 268.09787 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	269.105146	162.0
[M+Na]+	291.087088	168.5
[M-H]-	267.090594	165.7
[M+NH4]+	286.131693	179.1
[M+K]+	307.061028	164.8
[M+H-H2O]+	251.095130	156.7
[M+HCOO]-	313.096071	180.2
[M+CH3COO]-	327.111721	199.8
[M+Na-2H]-	289.072536	165.8
[M]+	268.09732142	163.8
[M]-	268.09841858	163.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.