CID 18023

Union carbide uc-8305

Structural Information

Molecular Formula
C8H14ClO2PS
SMILES
CC1C2CCCCC2OP(=S)(O1)Cl
InChI
InChI=1S/C8H14ClO2PS/c1-6-7-4-2-3-5-8(7)11-12(9,13)10-6/h6-8H,2-5H2,1H3
InChIKey
HPLOCTDGLFAFAF-UHFFFAOYSA-N
Compound name
2-chloro-4-methyl-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

4
Patents

240.01407 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.02135 143.8
[M+Na]+ 263.00329 151.2
[M-H]- 239.00679 148.1
[M+NH4]+ 258.04789 164.0
[M+K]+ 278.97723 150.2
[M+H-H2O]+ 223.01133 137.9
[M+HCOO]- 285.01227 156.3
[M+CH3COO]- 299.02792 187.3
[M+Na-2H]- 260.98874 145.7
[M]+ 240.01352 144.6
[M]- 240.01462 144.6
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

patents stripe