CID 3064050

1-nicotinoyl-2,2-bis(2-chloroethyl)hydrazine hydrochloride

Structural Information

Molecular Formula
C10H13Cl2N3O
SMILES
C1=CC(=CN=C1)C(=O)NN(CCCl)CCCl
InChI
InChI=1S/C10H13Cl2N3O/c11-3-6-15(7-4-12)14-10(16)9-2-1-5-13-8-9/h1-2,5,8H,3-4,6-7H2,(H,14,16)
InChIKey
ZMEHBDZGMSKYAJ-UHFFFAOYSA-N
Compound name
N',N'-bis(2-chloroethyl)pyridine-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.04358 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.05086 155.5
[M+Na]+ 284.03280 162.0
[M-H]- 260.03630 157.8
[M+NH4]+ 279.07740 171.9
[M+K]+ 300.00674 157.9
[M+H-H2O]+ 244.04084 148.9
[M+HCOO]- 306.04178 170.7
[M+CH3COO]- 320.05743 199.7
[M+Na-2H]- 282.01825 160.6
[M]+ 261.04303 159.1
[M]- 261.04413 159.1
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.