CID 22349971

(2,6-dichloropyrimidin-4-yl)methanol

Structural Information

Molecular Formula
C5H4Cl2N2O
SMILES
C1=C(N=C(N=C1Cl)Cl)CO
InChI
InChI=1S/C5H4Cl2N2O/c6-4-1-3(2-10)8-5(7)9-4/h1,10H,2H2
InChIKey
YSFXKEAJJBEXJI-UHFFFAOYSA-N
Compound name
(2,6-dichloropyrimidin-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

177.97006 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.977336 127.8
[M+Na]+ 200.959278 139.2
[M-H]- 176.962784 127.2
[M+NH4]+ 196.003883 146.2
[M+K]+ 216.933218 134.5
[M+H-H2O]+ 160.967320 122.7
[M+HCOO]- 222.968261 139.8
[M+CH3COO]- 236.983911 175.1
[M+Na-2H]- 198.944726 135.0
[M]+ 177.96951142 130.1
[M]- 177.97060858 130.1
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