CID 37819043

1-chloro-7-nitropyrrolo[1,2-a]pyrazine

Structural Information

Molecular Formula
C7H4ClN3O2
SMILES
C1=CN2C=C(C=C2C(=N1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C7H4ClN3O2/c8-7-6-3-5(11(12)13)4-10(6)2-1-9-7/h1-4H
InChIKey
OTWHUHVUMPHTOY-UHFFFAOYSA-N
Compound name
1-chloro-7-nitropyrrolo[1,2-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.9992 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.006476 134.8
[M+Na]+ 219.988418 146.0
[M-H]- 195.991924 137.5
[M+NH4]+ 215.033023 154.5
[M+K]+ 235.962358 138.4
[M+H-H2O]+ 179.996460 133.1
[M+HCOO]- 241.997401 155.8
[M+CH3COO]- 256.013051 175.4
[M+Na-2H]- 217.973866 144.9
[M]+ 196.99865142 137.2
[M]- 196.99974858 137.2
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