CID 197764

2511-15-1

Structural Information

Molecular Formula
C10H23O2PS
SMILES
CCCCOP(=O)(CC)SCCCC
InChI
InChI=1S/C10H23O2PS/c1-4-7-9-12-13(11,6-3)14-10-8-5-2/h4-10H2,1-3H3
InChIKey
CUGASPJVUTYINQ-UHFFFAOYSA-N
Compound name
1-[butylsulfanyl(ethyl)phosphoryl]oxybutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.11563 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.12291 157.8
[M+Na]+ 261.10485 163.5
[M-H]- 237.10835 156.5
[M+NH4]+ 256.14945 177.0
[M+K]+ 277.07879 161.6
[M+H-H2O]+ 221.11289 150.0
[M+HCOO]- 283.11383 179.6
[M+CH3COO]- 297.12948 193.6
[M+Na-2H]- 259.09030 156.6
[M]+ 238.11508 165.8
[M]- 238.11618 165.8
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.