CID 3055276

Brn 1966129

Structural Information

Molecular Formula
C11H25O5PS
SMILES
CCCSP(=O)(OCCOCC)OCCOCC
InChI
InChI=1S/C11H25O5PS/c1-4-11-18-17(12,15-9-7-13-5-2)16-10-8-14-6-3/h4-11H2,1-3H3
InChIKey
WUHQROWGLNSUAU-UHFFFAOYSA-N
Compound name
1-[bis(2-ethoxyethoxy)phosphorylsulfanyl]propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.11603 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.123306 170.5
[M+Na]+ 323.105248 175.1
[M-H]- 299.108754 168.7
[M+NH4]+ 318.149853 186.8
[M+K]+ 339.079188 174.5
[M+H-H2O]+ 283.113290 161.7
[M+HCOO]- 345.114231 192.7
[M+CH3COO]- 359.129881 202.4
[M+Na-2H]- 321.090696 169.7
[M]+ 300.11548142 183.0
[M]- 300.11657858 183.0
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.