CID 167856063

1,7-dichloropyrrolo[1,2-a]pyrazine

Structural Information

Molecular Formula
C7H4Cl2N2
SMILES
C1=CN2C=C(C=C2C(=N1)Cl)Cl
InChI
InChI=1S/C7H4Cl2N2/c8-5-3-6-7(9)10-1-2-11(6)4-5/h1-4H
InChIKey
ZIFFJGOHEOTBMS-UHFFFAOYSA-N
Compound name
1,7-dichloropyrrolo[1,2-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.97516 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.982436 131.5
[M+Na]+ 208.964378 145.1
[M-H]- 184.967884 133.4
[M+NH4]+ 204.008983 153.2
[M+K]+ 224.938318 139.5
[M+H-H2O]+ 168.972420 125.7
[M+HCOO]- 230.973361 146.1
[M+CH3COO]- 244.989011 146.0
[M+Na-2H]- 206.949826 139.3
[M]+ 185.97461142 136.1
[M]- 185.97570858 136.1
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

No patent data available for this compound.