CID 3084236

Ga 3

Structural Information

Molecular Formula
C9H21O2PS
SMILES
CCCCOP(=O)(C)SCCCC
InChI
InChI=1S/C9H21O2PS/c1-4-6-8-11-12(3,10)13-9-7-5-2/h4-9H2,1-3H3
InChIKey
OLNWHPYZGKSVEV-UHFFFAOYSA-N
Compound name
1-[butylsulfanyl(methyl)phosphoryl]oxybutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.09999 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10727 153.2
[M+Na]+ 247.08921 159.3
[M-H]- 223.09271 152.1
[M+NH4]+ 242.13381 172.9
[M+K]+ 263.06315 157.7
[M+H-H2O]+ 207.09725 145.6
[M+HCOO]- 269.09819 175.3
[M+CH3COO]- 283.11384 190.6
[M+Na-2H]- 245.07466 152.5
[M]+ 224.09944 160.9
[M]- 224.10054 160.9
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.