CID 72213170

5-chloro-2-iodo-3-methylpyrazine

Structural Information

Molecular Formula
C5H4ClIN2
SMILES
CC1=NC(=CN=C1I)Cl
InChI
InChI=1S/C5H4ClIN2/c1-3-5(7)8-2-4(6)9-3/h2H,1H3
InChIKey
YPISWZZDNZVIKR-UHFFFAOYSA-N
Compound name
5-chloro-2-iodo-3-methylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

253.91077 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.91805 125.9
[M+Na]+ 276.89999 130.2
[M-H]- 252.90349 120.5
[M+NH4]+ 271.94459 141.1
[M+K]+ 292.87393 132.9
[M+H-H2O]+ 236.90803 116.7
[M+HCOO]- 298.90897 139.6
[M+CH3COO]- 312.92462 182.6
[M+Na-2H]- 274.88544 122.6
[M]+ 253.91022 125.5
[M]- 253.91132 125.5
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