CID 17965852

4-chlorofuro[3,2-d]pyrimidine

Structural Information

Molecular Formula
C6H3ClN2O
SMILES
C1=COC2=C1N=CN=C2Cl
InChI
InChI=1S/C6H3ClN2O/c7-6-5-4(1-2-10-5)8-3-9-6/h1-3H
InChIKey
OVOINUKCVYVMEF-UHFFFAOYSA-N
Compound name
4-chlorofuro[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

153.9934 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.000676 123.0
[M+Na]+ 176.982618 136.0
[M-H]- 152.986124 126.2
[M+NH4]+ 172.027223 144.1
[M+K]+ 192.956558 133.5
[M+H-H2O]+ 136.990660 117.0
[M+HCOO]- 198.991601 142.6
[M+CH3COO]- 213.007251 138.6
[M+Na-2H]- 174.968066 133.8
[M]+ 153.99285142 128.1
[M]- 153.99394858 128.1
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