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

78
Patents

153.9934 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.00068 123.0
[M+Na]+ 176.98262 136.0
[M-H]- 152.98612 126.2
[M+NH4]+ 172.02722 144.1
[M+K]+ 192.95656 133.5
[M+H-H2O]+ 136.99066 117.0
[M+HCOO]- 198.99160 142.6
[M+CH3COO]- 213.00725 138.6
[M+Na-2H]- 174.96807 133.8
[M]+ 153.99285 128.1
[M]- 153.99395 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