CID 375754

Nsc655901

Structural Information

Molecular Formula
C27H53AsO7
SMILES
CCCCCCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/C27H53AsO7/c1-3-5-7-9-11-13-15-17-19-21-26(29)34-24-25(23-28(31,32)33)35-27(30)22-20-18-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3,(H2,31,32,33)
InChIKey
JUPMJZZCIZTCGB-UHFFFAOYSA-N
Compound name
2,3-di(dodecanoyloxy)propylarsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

564.3007 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.30798 237.9
[M+Na]+ 587.28992 242.3
[M-H]- 563.29342 230.9
[M+NH4]+ 582.33452 241.4
[M+K]+ 603.26386 241.5
[M+H-H2O]+ 547.29796 236.1
[M+HCOO]- 609.29890 242.7
[M+CH3COO]- 623.31455 241.9
[M+Na-2H]- 585.27537 223.3
[M]+ 564.30015 236.5
[M]- 564.30125 236.5
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.