CID 44754793

(2-chloro-5-fluoropyridin-4-yl)methanol

Structural Information

Molecular Formula
C6H5ClFNO
SMILES
C1=C(C(=CN=C1Cl)F)CO
InChI
InChI=1S/C6H5ClFNO/c7-6-1-4(3-10)5(8)2-9-6/h1-2,10H,3H2
InChIKey
ULYHGGNKEUYIKI-UHFFFAOYSA-N
Compound name
(2-chloro-5-fluoro-4-pyridinyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

175
Patents

161.00436 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.011636 124.9
[M+Na]+ 183.993578 135.9
[M-H]- 159.997084 125.1
[M+NH4]+ 179.038183 145.1
[M+K]+ 199.967518 131.8
[M+H-H2O]+ 144.001620 119.3
[M+HCOO]- 206.002561 142.3
[M+CH3COO]- 220.018211 173.1
[M+Na-2H]- 181.979026 132.0
[M]+ 161.00381142 125.3
[M]- 161.00490858 125.3
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