CID 12518113

52797-94-1

Structural Information

Molecular Formula
C8H19O2PS2
SMILES
CCC(C)SP(=O)(O)SC(C)CC
InChI
InChI=1S/C8H19O2PS2/c1-5-7(3)12-11(9,10)13-8(4)6-2/h7-8H,5-6H2,1-4H3,(H,9,10)
InChIKey
CTSZRDMRQMEDBU-UHFFFAOYSA-N
Compound name
bis(butan-2-ylsulfanyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

242.05641 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.063686 151.3
[M+Na]+ 265.045628 156.1
[M-H]- 241.049134 148.5
[M+NH4]+ 260.090233 169.1
[M+K]+ 281.019568 153.2
[M+H-H2O]+ 225.053670 143.5
[M+HCOO]- 287.054611 164.4
[M+CH3COO]- 301.070261 191.1
[M+Na-2H]- 263.031076 146.7
[M]+ 242.05586142 155.5
[M]- 242.05695858 155.5
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