CID 360980

Nsc623711

Structural Information

Molecular Formula
C5H7ClO3
SMILES
C1CC2OC(C1Cl)OO2
InChI
InChI=1S/C5H7ClO3/c6-3-1-2-4-7-5(3)9-8-4/h3-5H,1-2H2
InChIKey
LJWKDPIGKXRIIL-UHFFFAOYSA-N
Compound name
2-chloro-6,7,8-trioxabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.00838 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.01566 124.8
[M+Na]+ 172.99760 133.3
[M-H]- 149.00110 129.4
[M+NH4]+ 168.04220 146.3
[M+K]+ 188.97154 134.7
[M+H-H2O]+ 133.00564 122.0
[M+HCOO]- 195.00658 138.4
[M+CH3COO]- 209.02223 139.3
[M+Na-2H]- 170.98305 134.3
[M]+ 150.00783 127.4
[M]- 150.00893 127.4
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

No patent data available for this compound.