CID 61170

Diiodoacetylene

Structural Information

Molecular Formula

C₂I₂

SMILES

C(#CI)I

InChI

InChI=1S/C2I2/c3-1-2-4

InChIKey

XANKMCMFEJCODV-UHFFFAOYSA-N

Compound name

1,2-diiodoethyne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 155
Patents: 277.80896 Da
Monoisotopic Mass: 2.0
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]+	278.81624	117.1
[M+Na]+	300.79818	114.2
[M-H]-	276.80168	107.6
[M+NH4]+	295.84278	128.7
[M+K]+	316.77212	123.5
[M+H-H2O]+	260.80622	103.7
[M+HCOO]-	322.80716	126.4
[M+CH3COO]-	336.82281	194.4
[M+Na-2H]-	298.78363	108.6
[M]+	277.80841	108.8
[M]-	277.80951	108.8

Literature stripe

literature stripe

Patent stripe

patents stripe