CID 77716

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

Structural Information

Molecular Formula
C5H10ClO3P
SMILES
CC1(COP(=O)(OC1)Cl)C
InChI
InChI=1S/C5H10ClO3P/c1-5(2)3-8-10(6,7)9-4-5/h3-4H2,1-2H3
InChIKey
VZMUCIBBVMLEKC-UHFFFAOYSA-N
Compound name
2-chloro-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1178
Patents

184.00562 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.01290 130.5
[M+Na]+ 206.99484 139.9
[M-H]- 182.99834 134.8
[M+NH4]+ 202.03944 153.3
[M+K]+ 222.96878 140.9
[M+H-H2O]+ 167.00288 126.0
[M+HCOO]- 229.00382 151.7
[M+CH3COO]- 243.01947 177.0
[M+Na-2H]- 204.98029 137.9
[M]+ 184.00507 134.0
[M]- 184.00617 134.0
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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