CID 101891711

16-dimethylarsinoyl-9z-hexadecenoic acid

Structural Information

Molecular Formula
C18H35AsO3
SMILES
C[As](=O)(C)CCCCCC/C=C\CCCCCCCC(=O)O
InChI
InChI=1S/C18H35AsO3/c1-19(2,22)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)21/h3,5H,4,6-17H2,1-2H3,(H,20,21)/b5-3-
InChIKey
FZOQEVBDCNSQIJ-HYXAFXHYSA-N
Compound name
(Z)-16-dimethylarsorylhexadec-9-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.1802 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.18748 195.3
[M+Na]+ 397.16942 197.3
[M-H]- 373.17292 191.7
[M+NH4]+ 392.21402 208.8
[M+K]+ 413.14336 193.0
[M+H-H2O]+ 357.17746 188.6
[M+HCOO]- 419.17840 211.4
[M+CH3COO]- 433.19405 209.5
[M+Na-2H]- 395.15487 193.4
[M]+ 374.17965 200.7
[M]- 374.18075 200.7
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.