CID 14595700

2-chloro-5-pyrimidinol

Structural Information

Molecular Formula
C4H3ClN2O
SMILES
C1=C(C=NC(=N1)Cl)O
InChI
InChI=1S/C4H3ClN2O/c5-4-6-1-3(8)2-7-4/h1-2,8H
InChIKey
BOGPIHXNWPTGNH-UHFFFAOYSA-N
Compound name
2-chloropyrimidin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1081
Patents

129.9934 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.00068 118.5
[M+Na]+ 152.98262 129.3
[M-H]- 128.98612 118.5
[M+NH4]+ 148.02722 138.2
[M+K]+ 168.95656 126.1
[M+H-H2O]+ 112.99066 112.9
[M+HCOO]- 174.99160 136.1
[M+CH3COO]- 189.00725 166.0
[M+Na-2H]- 150.96807 127.9
[M]+ 129.99285 119.3
[M]- 129.99395 119.3
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