CID 14761464

131747-53-0

Structural Information

Molecular Formula
C7H6F3NO
SMILES
C1=CC(=NC(=C1)C(F)(F)F)CO
InChI
InChI=1S/C7H6F3NO/c8-7(9,10)6-3-1-2-5(4-12)11-6/h1-3,12H,4H2
InChIKey
LDPSHXVZVLFJTP-UHFFFAOYSA-N
Compound name
[6-(trifluoromethyl)pyridin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

163
Patents

177.04015 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04743 137.9
[M+Na]+ 200.02937 147.3
[M+NH4]+ 195.07397 143.4
[M+K]+ 216.00331 142.5
[M-H]- 176.03287 134.1
[M+Na-2H]- 198.01482 142.3
[M]+ 177.03960 137.9
[M]- 177.04070 137.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe