CID 154729269

(3,5-dichloro-2-fluoropyridin-4-yl)methanol

Structural Information

Molecular Formula
C6H4Cl2FNO
SMILES
C1=C(C(=C(C(=N1)F)Cl)CO)Cl
InChI
InChI=1S/C6H4Cl2FNO/c7-4-1-10-6(9)5(8)3(4)2-11/h1,11H,2H2
InChIKey
XGQTWYQAWKUGLC-UHFFFAOYSA-N
Compound name
(3,5-dichloro-2-fluoropyridin-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.9654 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.97268 129.5
[M+Na]+ 217.95462 141.5
[M-H]- 193.95812 129.3
[M+NH4]+ 212.99922 148.9
[M+K]+ 233.92856 136.2
[M+H-H2O]+ 177.96266 124.8
[M+HCOO]- 239.96360 141.7
[M+CH3COO]- 253.97925 179.1
[M+Na-2H]- 215.94007 135.1
[M]+ 194.96485 131.2
[M]- 194.96595 131.2
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

No patent data available for this compound.