CID 37134541

1175788-58-5

Structural Information

Molecular Formula

SMILES

C=CN1C=C(C=N1)I

InChI

InChI=1S/C5H5IN2/c1-2-8-4-5(6)3-7-8/h2-4H,1H2

InChIKey

ZBUGBGHFOYSENG-UHFFFAOYSA-N

Compound name

1-ethenyl-4-iodopyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 219.94975 Da
Monoisotopic Mass: 1.5
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]+	220.957026	123.2
[M+Na]+	242.938968	126.3
[M-H]-	218.942474	117.8
[M+NH4]+	237.983573	140.3
[M+K]+	258.912908	130.5
[M+H-H2O]+	202.947010	113.5
[M+HCOO]-	264.947951	142.2
[M+CH3COO]-	278.963601	177.2
[M+Na-2H]-	240.924416	118.4
[M]+	219.94920142	120.8
[M]-	219.95029858	120.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe