CID 12778715

2-iodobenzene-1,3-dicarbonitrile

Structural Information

Molecular Formula
C8H3IN2
SMILES
C1=CC(=C(C(=C1)C#N)I)C#N
InChI
InChI=1S/C8H3IN2/c9-8-6(4-10)2-1-3-7(8)5-11/h1-3H
InChIKey
SPLLRCOCMJCQIW-UHFFFAOYSA-N
Compound name
2-iodobenzene-1,3-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

253.9341 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.94138 150.2
[M+Na]+ 276.92332 156.4
[M-H]- 252.92682 149.6
[M+NH4]+ 271.96792 161.2
[M+K]+ 292.89726 156.5
[M+H-H2O]+ 236.93136 134.0
[M+HCOO]- 298.93230 160.4
[M+CH3COO]- 312.94795 216.0
[M+Na-2H]- 274.90877 145.7
[M]+ 253.93355 141.1
[M]- 253.93465 141.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe