CID 375755

Nsc655902

Structural Information

Molecular Formula
C19H37AsO7
SMILES
CCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCC
InChI
InChI=1S/C19H37AsO7/c1-3-5-7-9-11-13-18(21)26-16-17(15-20(23,24)25)27-19(22)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,23,24,25)
InChIKey
NZFFRCIIGLCQFO-UHFFFAOYSA-N
Compound name
2,3-di(octanoyloxy)propylarsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.17554 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.18282 209.1
[M+Na]+ 475.16476 215.0
[M-H]- 451.16826 205.2
[M+NH4]+ 470.20936 212.9
[M+K]+ 491.13870 211.0
[M+H-H2O]+ 435.17280 202.4
[M+HCOO]- 497.17374 217.2
[M+CH3COO]- 511.18939 218.9
[M+Na-2H]- 473.15021 205.2
[M]+ 452.17499 208.3
[M]- 452.17609 208.3
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.