CID 124251422

2-ethynyl-5-(trifluoromethoxy)pyrazine

Structural Information

Molecular Formula
C7H3F3N2O
SMILES
C#CC1=CN=C(C=N1)OC(F)(F)F
InChI
InChI=1S/C7H3F3N2O/c1-2-5-3-12-6(4-11-5)13-7(8,9)10/h1,3-4H
InChIKey
BKEPMGXOOFEYSZ-UHFFFAOYSA-N
Compound name
2-ethynyl-5-(trifluoromethoxy)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.01974 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.02702 128.8
[M+Na]+ 211.00896 139.8
[M-H]- 187.01246 124.5
[M+NH4]+ 206.05356 143.5
[M+K]+ 226.98290 136.9
[M+H-H2O]+ 171.01700 113.3
[M+HCOO]- 233.01794 141.4
[M+CH3COO]- 247.03359 188.4
[M+Na-2H]- 208.99441 135.2
[M]+ 188.01919 120.5
[M]- 188.02029 120.5
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.