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]+ 222.00405 139.1
[M+Na]+ 243.98599 150.6
[M+NH4]+ 239.03059 145.1
[M+K]+ 259.95993 146.8
[M-H]- 219.98949 135.2
[M+Na-2H]- 241.97144 144.2
[M]+ 220.99622 139.7
[M]- 220.99732 139.7
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.