CID 67178

Disodium arsonoacetate

Structural Information

Molecular Formula
C2H5AsO5
SMILES
C(C(=O)O)[As](=O)(O)O
InChI
InChI=1S/C2H5AsO5/c4-2(5)1-3(6,7)8/h1H2,(H,4,5)(H2,6,7,8)
InChIKey
SIYRQHPXBLWQRE-UHFFFAOYSA-N
Compound name
2-arsonoacetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

35
Patents

183.93529 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.94257 130.3
[M+Na]+ 206.92451 137.5
[M-H]- 182.92801 126.5
[M+NH4]+ 201.96911 149.7
[M+K]+ 222.89845 137.0
[M+H-H2O]+ 166.93255 126.3
[M+HCOO]- 228.93349 148.8
[M+CH3COO]- 242.94914 161.9
[M+Na-2H]- 204.90996 135.7
[M]+ 183.93474 129.4
[M]- 183.93584 129.4
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