CID 155822449

6-chloro-5-(trifluoromethyl)pyrazin-2-amine

Structural Information

Molecular Formula
C5H3ClF3N3
SMILES
C1=C(N=C(C(=N1)C(F)(F)F)Cl)N
InChI
InChI=1S/C5H3ClF3N3/c6-4-3(5(7,8)9)11-1-2(10)12-4/h1H,(H2,10,12)
InChIKey
AREBWQWMVIMNEK-UHFFFAOYSA-N
Compound name
6-chloro-5-(trifluoromethyl)pyrazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

196.99677 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.00405 132.4
[M+Na]+ 219.98599 143.9
[M-H]- 195.98949 129.6
[M+NH4]+ 215.03059 149.8
[M+K]+ 235.95993 139.3
[M+H-H2O]+ 179.99403 123.9
[M+HCOO]- 241.99497 146.6
[M+CH3COO]- 256.01062 182.8
[M+Na-2H]- 217.97144 139.0
[M]+ 196.99622 128.6
[M]- 196.99732 128.6
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

patents stripe