CID 14761463

131747-59-6

Structural Information

Molecular Formula
C7H6F3NO
SMILES
C1=C(C=NC=C1C(F)(F)F)CO
InChI
InChI=1S/C7H6F3NO/c8-7(9,10)6-1-5(4-12)2-11-3-6/h1-3,12H,4H2
InChIKey
QPFXWWUSUDCTAU-UHFFFAOYSA-N
Compound name
[5-(trifluoromethyl)pyridin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
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

No literature data available for this compound.

Patent stripe

patents stripe