CID 642841

Iodopyrazine

Structural Information

Molecular Formula
C4H3IN2
SMILES
C1=CN=C(C=N1)I
InChI
InChI=1S/C4H3IN2/c5-4-3-6-1-2-7-4/h1-3H
InChIKey
OYWPFIUVDKHHGQ-UHFFFAOYSA-N
Compound name
2-iodopyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1520
Patents

205.9341 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.94138 119.5
[M+Na]+ 228.92332 121.7
[M-H]- 204.92682 113.7
[M+NH4]+ 223.96792 135.1
[M+K]+ 244.89726 126.4
[M+H-H2O]+ 188.93136 109.4
[M+HCOO]- 250.93230 137.8
[M+CH3COO]- 264.94795 174.1
[M+Na-2H]- 226.90877 118.2
[M]+ 205.93355 116.3
[M]- 205.93465 116.3
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

No patent data available for this compound.