CID 42553001

942206-12-4

Structural Information

Molecular Formula

C₅H₅ClIN₃

SMILES

C1=C(C=NC(=C1I)NN)Cl

InChI

InChI=1S/C5H5ClIN3/c6-3-1-4(7)5(10-8)9-2-3/h1-2H,8H2,(H,9,10)

InChIKey

SMVJKHCZAOIBLS-UHFFFAOYSA-N

Compound name

(5-chloro-3-iodopyridin-2-yl)hydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 268.92166 Da
Monoisotopic Mass: 1.7
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]+	269.92894	140.2
[M+Na]+	291.91088	142.7
[M-H]-	267.91438	135.6
[M+NH4]+	286.95548	155.1
[M+K]+	307.88482	144.8
[M+H-H2O]+	251.91892	131.0
[M+HCOO]-	313.91986	156.2
[M+CH3COO]-	327.93551	188.5
[M+Na-2H]-	289.89633	135.3
[M]+	268.92111	136.8
[M]-	268.92221	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe