CID 11288231

Pyridin-3-yl[3-(trifluoromethyl)phenyl]methanol

Structural Information

Molecular Formula
C13H10F3NO
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C(C2=CN=CC=C2)O
InChI
InChI=1S/C13H10F3NO/c14-13(15,16)11-5-1-3-9(7-11)12(18)10-4-2-6-17-8-10/h1-8,12,18H
InChIKey
WHMOFSLPOYNDOR-UHFFFAOYSA-N
Compound name
pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.07144 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.07872 152.4
[M+Na]+ 276.06066 160.3
[M-H]- 252.06416 152.6
[M+NH4]+ 271.10526 167.1
[M+K]+ 292.03460 155.6
[M+H-H2O]+ 236.06870 142.3
[M+HCOO]- 298.06964 168.6
[M+CH3COO]- 312.08529 191.0
[M+Na-2H]- 274.04611 157.5
[M]+ 253.07089 147.0
[M]- 253.07199 147.0
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.