CID 68532

Allylarsonic acid

Structural Information

Molecular Formula
C3H7AsO3
SMILES
C=CC[As](=O)(O)O
InChI
InChI=1S/C3H7AsO3/c1-2-3-4(5,6)7/h2H,1,3H2,(H2,5,6,7)
InChIKey
KADVUADSGCRCHA-UHFFFAOYSA-N
Compound name
prop-2-enylarsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

165.96112 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.96840 129.0
[M+Na]+ 188.95034 136.7
[M-H]- 164.95384 126.6
[M+NH4]+ 183.99494 150.2
[M+K]+ 204.92428 135.4
[M+H-H2O]+ 148.95838 125.2
[M+HCOO]- 210.95932 149.3
[M+CH3COO]- 224.97497 162.3
[M+Na-2H]- 186.93579 135.6
[M]+ 165.96057 128.2
[M]- 165.96167 128.2
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

patents stripe