CID 68283421

1227600-70-5

Structural Information

Molecular Formula
C7H5F4NO
SMILES
C1=CN=C(C(=C1CO)F)C(F)(F)F
InChI
InChI=1S/C7H5F4NO/c8-5-4(3-13)1-2-12-6(5)7(9,10)11/h1-2,13H,3H2
InChIKey
VYSLSJVNWYPWBI-UHFFFAOYSA-N
Compound name
[3-fluoro-2-(trifluoromethyl)pyridin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

195.03073 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.03801 133.5
[M+Na]+ 218.01995 143.9
[M-H]- 194.02345 129.9
[M+NH4]+ 213.06455 151.3
[M+K]+ 233.99389 140.6
[M+H-H2O]+ 178.02799 124.6
[M+HCOO]- 240.02893 150.2
[M+CH3COO]- 254.04458 180.4
[M+Na-2H]- 216.00540 139.1
[M]+ 195.03018 128.1
[M]- 195.03128 128.1
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.