CID 205683

O,o-dimethyl o-(1,3,3-trimethyl-2-norbornyl)phosphorothioate

Structural Information

Molecular Formula
C12H23O3PS
SMILES
CC1(C2CCC(C2)(C1OP(=S)(OC)OC)C)C
InChI
InChI=1S/C12H23O3PS/c1-11(2)9-6-7-12(3,8-9)10(11)15-16(17,13-4)14-5/h9-10H,6-8H2,1-5H3
InChIKey
NVBALASSUPWCIF-UHFFFAOYSA-N
Compound name
dimethoxy-sulfanylidene-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.11057 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11785 161.7
[M+Na]+ 301.09979 169.8
[M-H]- 277.10329 163.6
[M+NH4]+ 296.14439 188.5
[M+K]+ 317.07373 168.6
[M+H-H2O]+ 261.10783 157.8
[M+HCOO]- 323.10877 181.6
[M+CH3COO]- 337.12442 198.2
[M+Na-2H]- 299.08524 162.7
[M]+ 278.11002 169.2
[M]- 278.11112 169.2
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.