CID 13220312

4-iodo-1h-pyrrole-2-carbonitrile

Structural Information

Molecular Formula
C5H3IN2
SMILES
C1=C(NC=C1I)C#N
InChI
InChI=1S/C5H3IN2/c6-4-1-5(2-7)8-3-4/h1,3,8H
InChIKey
MEUPPRKGBVQHPM-UHFFFAOYSA-N
Compound name
4-iodo-1H-pyrrole-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

217.9341 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.94138 127.8
[M+Na]+ 240.92332 132.3
[M-H]- 216.92682 122.7
[M+NH4]+ 235.96792 143.5
[M+K]+ 256.89726 134.6
[M+H-H2O]+ 200.93136 112.7
[M+HCOO]- 262.93230 143.1
[M+CH3COO]- 276.94795 186.7
[M+Na-2H]- 238.90877 122.9
[M]+ 217.93355 119.2
[M]- 217.93465 119.2
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

patents stripe