CID 54759140

(2-chloro-3-fluoropyridin-4-yl)methanol

Structural Information

Molecular Formula
C6H5ClFNO
SMILES
C1=CN=C(C(=C1CO)F)Cl
InChI
InChI=1S/C6H5ClFNO/c7-6-5(8)4(3-10)1-2-9-6/h1-2,10H,3H2
InChIKey
GMUIRRXRGQQTNZ-UHFFFAOYSA-N
Compound name
(2-chloro-3-fluoropyridin-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
Patents

161.00436 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.01164 124.9
[M+Na]+ 183.99358 135.9
[M-H]- 159.99708 125.1
[M+NH4]+ 179.03818 145.1
[M+K]+ 199.96752 131.8
[M+H-H2O]+ 144.00162 119.3
[M+HCOO]- 206.00256 142.3
[M+CH3COO]- 220.01821 173.1
[M+Na-2H]- 181.97903 132.0
[M]+ 161.00381 125.3
[M]- 161.00491 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