CID 370187

2,3-dipalmitoyloxypropylarsonic acid

Structural Information

Molecular Formula
C35H69AsO7
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C35H69AsO7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)42-32-33(31-36(39,40)41)43-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,39,40,41)
InChIKey
LFCCZZUAXPODIY-UHFFFAOYSA-N
Compound name
2,3-di(hexadecanoyloxy)propylarsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

676.4259 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 677.43318 265.3
[M+Na]+ 699.41512 268.2
[M-H]- 675.41862 255.2
[M+NH4]+ 694.45972 268.5
[M+K]+ 715.38906 270.8
[M+H-H2O]+ 659.42316 262.6
[M+HCOO]- 721.42410 266.8
[M+CH3COO]- 735.43975 264.1
[M+Na-2H]- 697.40057 247.2
[M]+ 676.42535 263.7
[M]- 676.42645 263.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe