CID 15662089

1-chloropyrrolo[1,2-a]pyrazine

Structural Information

Molecular Formula
C7H5ClN2
SMILES
C1=CN2C=CN=C(C2=C1)Cl
InChI
InChI=1S/C7H5ClN2/c8-7-6-2-1-4-10(6)5-3-9-7/h1-5H
InChIKey
UECDOWHLPZJHSY-UHFFFAOYSA-N
Compound name
1-chloropyrrolo[1,2-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

152.01413 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.02141 124.8
[M+Na]+ 175.00335 137.3
[M-H]- 151.00685 127.2
[M+NH4]+ 170.04795 147.3
[M+K]+ 190.97729 133.0
[M+H-H2O]+ 135.01139 118.6
[M+HCOO]- 197.01233 144.8
[M+CH3COO]- 211.02798 140.0
[M+Na-2H]- 172.98880 134.4
[M]+ 152.01358 128.2
[M]- 152.01468 128.2
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