CID 3454435

3,4-dichlorobenzoic acid tert-butylhydrazide

Structural Information

Molecular Formula

C₁₁H₁₄Cl₂N₂O

SMILES

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

InChI

InChI=1S/C11H14Cl2N2O/c1-11(2,3)15-14-10(16)7-4-5-8(12)9(13)6-7/h4-6,15H,1-3H3,(H,14,16)

InChIKey

OMCZZWNGLKLBCH-UHFFFAOYSA-N

Compound name

N'-tert-butyl-3,4-dichlorobenzohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 260.0483 Da
Monoisotopic Mass: 4.0
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]+	261.055576	157.5
[M+Na]+	283.037518	165.9
[M-H]-	259.041024	160.9
[M+NH4]+	278.082123	175.6
[M+K]+	299.011458	160.8
[M+H-H2O]+	243.045560	153.4
[M+HCOO]-	305.046501	171.7
[M+CH3COO]-	319.062151	198.7
[M+Na-2H]-	281.022966	161.8
[M]+	260.04775142	160.0
[M]-	260.04884858	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe