CID 72183195

3-chloro-5-iodopyrazin-2-amine

Structural Information

Molecular Formula
C4H3ClIN3
SMILES
C1=C(N=C(C(=N1)N)Cl)I
InChI
InChI=1S/C4H3ClIN3/c5-3-4(7)8-1-2(6)9-3/h1H,(H2,7,8)
InChIKey
KVGKDDCJSHJYCS-UHFFFAOYSA-N
Compound name
3-chloro-5-iodopyrazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

254.90602 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.91330 130.8
[M+Na]+ 277.89524 134.6
[M-H]- 253.89874 125.0
[M+NH4]+ 272.93984 145.3
[M+K]+ 293.86918 137.0
[M+H-H2O]+ 237.90328 121.3
[M+HCOO]- 299.90422 145.1
[M+CH3COO]- 313.91987 183.6
[M+Na-2H]- 275.88069 126.8
[M]+ 254.90547 128.3
[M]- 254.90657 128.3
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