CID 13742926

107040-75-5

Structural Information

Molecular Formula
C7H6F3NO
SMILES
C1=CC=NC(=C1)C(C(F)(F)F)O
InChI
InChI=1S/C7H6F3NO/c8-7(9,10)6(12)5-3-1-2-4-11-5/h1-4,6,12H
InChIKey
BWVJLWLTQVSWDW-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-pyridin-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

177.04015 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04743 131.2
[M+Na]+ 200.02937 139.4
[M-H]- 176.03287 128.4
[M+NH4]+ 195.07397 149.2
[M+K]+ 216.00331 137.0
[M+H-H2O]+ 160.03741 122.9
[M+HCOO]- 222.03835 148.1
[M+CH3COO]- 236.05400 176.1
[M+Na-2H]- 198.01482 137.7
[M]+ 177.03960 125.7
[M]- 177.04070 125.7
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