CID 84649002

(2,5-difluoropyridin-4-yl)methanol

Structural Information

Molecular Formula
C6H5F2NO
SMILES
C1=C(C(=CN=C1F)F)CO
InChI
InChI=1S/C6H5F2NO/c7-5-2-9-6(8)1-4(5)3-10/h1-2,10H,3H2
InChIKey
UFVITZSNNOQYBF-UHFFFAOYSA-N
Compound name
(2,5-difluoropyridin-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

145.03392 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.04120 127.1
[M+Na]+ 168.02314 138.8
[M+NH4]+ 163.06774 134.1
[M+K]+ 183.99708 133.1
[M-H]- 144.02664 125.6
[M+Na-2H]- 166.00859 132.9
[M]+ 145.03337 128.1
[M]- 145.03447 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

patents stripe