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

14
Patents

177.97006 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.97734 127.8
[M+Na]+ 200.95928 139.2
[M-H]- 176.96278 127.2
[M+NH4]+ 196.00388 146.2
[M+K]+ 216.93322 134.5
[M+H-H2O]+ 160.96732 122.7
[M+HCOO]- 222.96826 139.8
[M+CH3COO]- 236.98391 175.1
[M+Na-2H]- 198.94473 135.0
[M]+ 177.96951 130.1
[M]- 177.97061 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