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]+ 305.02992 160.0
[M+Na]+ 327.01186 170.5
[M-H]- 303.01536 160.3
[M+NH4]+ 322.05646 173.1
[M+K]+ 342.98580 165.1
[M+H-H2O]+ 287.01990 149.0
[M+HCOO]- 349.02084 173.2
[M+CH3COO]- 363.03649 199.3
[M+Na-2H]- 324.99731 166.3
[M]+ 304.02209 161.1
[M]- 304.02319 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.