CID 1502058

2-chloro-5-nitropyrazine

Structural Information

Molecular Formula
C4H2ClN3O2
SMILES
C1=C(N=CC(=N1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C4H2ClN3O2/c5-3-1-7-4(2-6-3)8(9)10/h1-2H
InChIKey
LONXFNWBWBLJNP-UHFFFAOYSA-N
Compound name
2-chloro-5-nitropyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

158.98355 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.99083 124.1
[M+Na]+ 181.97277 133.8
[M-H]- 157.97627 125.4
[M+NH4]+ 177.01737 142.3
[M+K]+ 197.94671 127.5
[M+H-H2O]+ 141.98081 122.7
[M+HCOO]- 203.98175 144.2
[M+CH3COO]- 217.99740 168.0
[M+Na-2H]- 179.95822 134.9
[M]+ 158.98300 124.2
[M]- 158.98410 124.2
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