CID 56587694

(2,3-difluoropyridin-4-yl)methanol

Structural Information

Molecular Formula
C6H5F2NO
SMILES
C1=CN=C(C(=C1CO)F)F
InChI
InChI=1S/C6H5F2NO/c7-5-4(3-10)1-2-9-6(5)8/h1-2,10H,3H2
InChIKey
LRNHJBKOBOVSME-UHFFFAOYSA-N
Compound name
(2,3-difluoro-4-pyridinyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

145.03392 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.041196 122.5
[M+Na]+ 168.023138 132.8
[M-H]- 144.026644 121.6
[M+NH4]+ 163.067743 142.4
[M+K]+ 183.997078 130.3
[M+H-H2O]+ 128.031180 115.3
[M+HCOO]- 190.032121 143.4
[M+CH3COO]- 204.047771 172.0
[M+Na-2H]- 166.008586 129.4
[M]+ 145.03337142 119.9
[M]- 145.03446858 119.9
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