CID 3048279

63886-82-8

Structural Information

Molecular Formula
C9H16ClO2PS
SMILES
CCC1C2CCCCC2OP(=S)(O1)Cl
InChI
InChI=1S/C9H16ClO2PS/c1-2-8-7-5-3-4-6-9(7)12-13(10,14)11-8/h7-9H,2-6H2,1H3
InChIKey
CKYVJRNTNYBPED-UHFFFAOYSA-N
Compound name
2-chloro-4-ethyl-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3,2]dioxaphosphinine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.02971 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.03699 150.0
[M+Na]+ 277.01893 161.3
[M+NH4]+ 272.06353 161.0
[M+K]+ 292.99287 151.4
[M-H]- 253.02243 154.7
[M+Na-2H]- 275.00438 153.7
[M]+ 254.02916 153.8
[M]- 254.03026 153.8
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.