CID 370186

Nsc642927

Structural Information

Molecular Formula
C31H61AsO7
SMILES
CCCCCCCCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C31H61AsO7/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(33)38-28-29(27-32(35,36)37)39-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h29H,3-28H2,1-2H3,(H2,35,36,37)
InChIKey
BTPLMEPOLVRPOI-UHFFFAOYSA-N
Compound name
2,3-di(tetradecanoyloxy)propylarsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

620.36334 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.37062 251.7
[M+Na]+ 643.35256 255.4
[M-H]- 619.35606 243.2
[M+NH4]+ 638.39716 255.1
[M+K]+ 659.32650 256.3
[M+H-H2O]+ 603.36060 249.5
[M+HCOO]- 665.36154 254.9
[M+CH3COO]- 679.37719 253.1
[M+Na-2H]- 641.33801 235.4
[M]+ 620.36279 250.2
[M]- 620.36389 250.2
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.