CID 52852

73987-21-0

Structural Information

Molecular Formula
C14H30O4P2S2
SMILES
CCCCOP(=O)(C(CCC)OP1SCCS1)OCCCC
InChI
InChI=1S/C14H30O4P2S2/c1-4-7-10-16-20(15,17-11-8-5-2)14(9-6-3)18-19-21-12-13-22-19/h14H,4-13H2,1-3H3
InChIKey
JFIGJMWLQHBEQR-UHFFFAOYSA-N
Compound name
2-(1-dibutoxyphosphorylbutoxy)-1,3,2-dithiaphospholane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.10608 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.11336 185.2
[M+Na]+ 411.09530 186.7
[M-H]- 387.09880 184.4
[M+NH4]+ 406.13990 199.9
[M+K]+ 427.06924 184.7
[M+H-H2O]+ 371.10334 173.5
[M+HCOO]- 433.10428 205.3
[M+CH3COO]- 447.11993 217.4
[M+Na-2H]- 409.08075 177.5
[M]+ 388.10553 193.3
[M]- 388.10663 193.3
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.