CID 17845

Dibutylarsinic acid

Structural Information

Molecular Formula
C8H19AsO2
SMILES
CCCC[As](=O)(CCCC)O
InChI
InChI=1S/C8H19AsO2/c1-3-5-7-9(10,11)8-6-4-2/h3-8H2,1-2H3,(H,10,11)
InChIKey
YNNYNTYYNRKDCX-UHFFFAOYSA-N
Compound name
dibutylarsinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

222.0601 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06738 149.9
[M+Na]+ 245.04932 155.8
[M-H]- 221.05282 148.1
[M+NH4]+ 240.09392 169.8
[M+K]+ 261.02326 154.2
[M+H-H2O]+ 205.05736 145.1
[M+HCOO]- 267.05830 169.7
[M+CH3COO]- 281.07395 179.1
[M+Na-2H]- 243.03477 154.3
[M]+ 222.05955 152.2
[M]- 222.06065 152.2
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