CID 3046037

4-(chloromethyl)-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane 1-oxide

Structural Information

Molecular Formula
C5H8ClO4P
SMILES
C1C2(COP(=O)(O1)OC2)CCl
InChI
InChI=1S/C5H8ClO4P/c6-1-5-2-8-11(7,9-3-5)10-4-5/h1-4H2
InChIKey
UPIVZOXZGDHQLR-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.98488 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.99216 133.6
[M+Na]+ 220.97410 141.5
[M-H]- 196.97760 132.2
[M+NH4]+ 216.01870 158.5
[M+K]+ 236.94804 143.2
[M+H-H2O]+ 180.98214 128.3
[M+HCOO]- 242.98308 145.8
[M+CH3COO]- 256.99873 146.3
[M+Na-2H]- 218.95955 147.9
[M]+ 197.98433 141.7
[M]- 197.98543 141.7
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.