CID 73994793

2-chloro-6-{[3-(trifluoromethoxy)phenyl]methoxy}pyrazine

Structural Information

Molecular Formula
C12H8ClF3N2O2
SMILES
C1=CC(=CC(=C1)OC(F)(F)F)COC2=CN=CC(=N2)Cl
InChI
InChI=1S/C12H8ClF3N2O2/c13-10-5-17-6-11(18-10)19-7-8-2-1-3-9(4-8)20-12(14,15)16/h1-6H,7H2
InChIKey
DJZYDXMNCZURPV-UHFFFAOYSA-N
Compound name
2-chloro-6-[[3-(trifluoromethoxy)phenyl]methoxy]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.02264 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.029916 160.0
[M+Na]+ 327.011858 170.5
[M-H]- 303.015364 160.3
[M+NH4]+ 322.056463 173.1
[M+K]+ 342.985798 165.1
[M+H-H2O]+ 287.019900 149.0
[M+HCOO]- 349.020841 173.2
[M+CH3COO]- 363.036491 199.3
[M+Na-2H]- 324.997306 166.3
[M]+ 304.02209142 161.1
[M]- 304.02318858 161.1
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.