CID 146049012

2322706-56-7

Structural Information

Molecular Formula
C6H4ClF3N2O
SMILES
C1=C(N=CC(=N1)Cl)C(C(F)(F)F)O
InChI
InChI=1S/C6H4ClF3N2O/c7-4-2-11-3(1-12-4)5(13)6(8,9)10/h1-2,5,13H
InChIKey
DHCSEARKBLANNX-UHFFFAOYSA-N
Compound name
1-(5-chloropyrazin-2-yl)-2,2,2-trifluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.99643 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.00371 134.4
[M+Na]+ 234.98565 144.7
[M-H]- 210.98915 130.5
[M+NH4]+ 230.03025 150.8
[M+K]+ 250.95959 140.5
[M+H-H2O]+ 194.99369 126.1
[M+HCOO]- 256.99463 145.7
[M+CH3COO]- 271.01028 180.8
[M+Na-2H]- 232.97110 140.5
[M]+ 211.99588 131.4
[M]- 211.99698 131.4
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.