CID 370188

Nsc642929

Structural Information

Molecular Formula
C39H77AsO7
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C39H77AsO7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)46-36-37(35-40(43,44)45)47-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H2,43,44,45)
InChIKey
JNXVWTJGZLETLE-UHFFFAOYSA-N
Compound name
2,3-di(octadecanoyloxy)propylarsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

732.4885 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 733.49578 278.4
[M+Na]+ 755.47772 280.7
[M-H]- 731.48122 266.8
[M+NH4]+ 750.52232 281.6
[M+K]+ 771.45166 284.9
[M+H-H2O]+ 715.48576 275.3
[M+HCOO]- 777.48670 278.4
[M+CH3COO]- 791.50235 274.9
[M+Na-2H]- 753.46317 258.7
[M]+ 732.48795 277.0
[M]- 732.48905 277.0
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.