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

207
Patents

162.04048 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.04776 127.5
[M+Na]+ 185.02970 137.9
[M-H]- 161.03320 125.1
[M+NH4]+ 180.07430 145.9
[M+K]+ 201.00364 135.5
[M+H-H2O]+ 145.03774 118.5
[M+HCOO]- 207.03868 145.6
[M+CH3COO]- 221.05433 176.8
[M+Na-2H]- 183.01515 135.5
[M]+ 162.03993 123.6
[M]- 162.04103 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