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

168
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 131.0
[M+Na]+ 200.02937 140.5
[M-H]- 176.03287 128.5
[M+NH4]+ 195.07397 149.4
[M+K]+ 216.00331 137.6
[M+H-H2O]+ 160.03741 122.9
[M+HCOO]- 222.03835 148.9
[M+CH3COO]- 236.05400 176.4
[M+Na-2H]- 198.01482 138.0
[M]+ 177.03960 126.5
[M]- 177.04070 126.5
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