CID 51040787

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

161.00436 Da
Monoisotopic Mass

1.4
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

literature stripe

Patent stripe

patents stripe