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]+ 198.00648 132.1
[M+Na]+ 219.98842 147.9
[M+NH4]+ 215.03302 141.1
[M+K]+ 235.96236 145.4
[M-H]- 195.99192 134.8
[M+Na-2H]- 217.97387 139.5
[M]+ 196.99865 135.3
[M]- 196.99975 135.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.