CID 135394528

8-chloro-3-(trifluoromethyl)imidazo[1,5-a]pyrazine

Structural Information

Molecular Formula
C7H3ClF3N3
SMILES
C1=CN2C(=CN=C2C(F)(F)F)C(=N1)Cl
InChI
InChI=1S/C7H3ClF3N3/c8-5-4-3-13-6(7(9,10)11)14(4)2-1-12-5/h1-3H
InChIKey
HZGDAKJKABFHLF-UHFFFAOYSA-N
Compound name
8-chloro-3-(trifluoromethyl)imidazo[1,5-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.99677 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.004046 137.5
[M+Na]+ 243.985988 151.4
[M-H]- 219.989494 135.1
[M+NH4]+ 239.030593 156.0
[M+K]+ 259.959928 146.0
[M+H-H2O]+ 203.994030 128.1
[M+HCOO]- 265.994971 151.2
[M+CH3COO]- 280.010621 184.7
[M+Na-2H]- 241.971436 145.1
[M]+ 220.99622142 137.9
[M]- 220.99731858 137.9
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.