CID 45790699

2-methyl-5-(trifluoromethyl)pyrazine

Structural Information

Molecular Formula
C6H5F3N2
SMILES
CC1=CN=C(C=N1)C(F)(F)F
InChI
InChI=1S/C6H5F3N2/c1-4-2-11-5(3-10-4)6(7,8)9/h2-3H,1H3
InChIKey
XZOKPWSKJRCLQO-UHFFFAOYSA-N
Compound name
2-methyl-5-(trifluoromethyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

211
Patents

162.04048 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.047756 127.5
[M+Na]+ 185.029698 137.9
[M-H]- 161.033204 125.1
[M+NH4]+ 180.074303 145.9
[M+K]+ 201.003638 135.5
[M+H-H2O]+ 145.037740 118.5
[M+HCOO]- 207.038681 145.6
[M+CH3COO]- 221.054331 176.8
[M+Na-2H]- 183.015146 135.5
[M]+ 162.03993142 123.6
[M]- 162.04102858 123.6
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