CID 86697886

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

Structural Information

Molecular Formula
C5H4ClFN2O
SMILES
C1=C(C(=NC(=N1)Cl)CO)F
InChI
InChI=1S/C5H4ClFN2O/c6-5-8-1-3(7)4(2-10)9-5/h1,10H,2H2
InChIKey
VZHFDDYMBJKFDL-UHFFFAOYSA-N
Compound name
(2-chloro-5-fluoropyrimidin-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

161.99962 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.00690 124.9
[M+Na]+ 184.98884 136.2
[M-H]- 160.99234 123.7
[M+NH4]+ 180.03344 143.6
[M+K]+ 200.96278 132.3
[M+H-H2O]+ 144.99688 118.4
[M+HCOO]- 206.99782 141.2
[M+CH3COO]- 221.01347 172.8
[M+Na-2H]- 182.97429 132.4
[M]+ 161.99907 125.4
[M]- 162.00017 125.4
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.