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 148.4
[M+Na]+ 277.01893 155.4
[M-H]- 253.02243 152.5
[M+NH4]+ 272.06353 168.1
[M+K]+ 292.99287 154.2
[M+H-H2O]+ 237.02697 142.4
[M+HCOO]- 299.02791 160.6
[M+CH3COO]- 313.04356 190.3
[M+Na-2H]- 275.00438 149.9
[M]+ 254.02916 149.6
[M]- 254.03026 149.6
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.