CID 75508

2-chloro-5,5-dimethyl-1,3,2-dioxaphosphorinane

Structural Information

Molecular Formula
C5H10ClO2P
SMILES
CC1(COP(OC1)Cl)C
InChI
InChI=1S/C5H10ClO2P/c1-5(2)3-7-9(6)8-4-5/h3-4H2,1-2H3
InChIKey
RAOZVFGTRXLBTA-UHFFFAOYSA-N
Compound name
2-chloro-5,5-dimethyl-1,3,2-dioxaphosphinane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

242
Patents

168.0107 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.01798 130.6
[M+Na]+ 190.99992 142.9
[M+NH4]+ 186.04452 141.1
[M+K]+ 206.97386 135.8
[M-H]- 167.00342 134.8
[M+Na-2H]- 188.98537 136.5
[M]+ 168.01015 133.9
[M]- 168.01125 133.9
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

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