CID 352200

7759nta9h8

Structural Information

Molecular Formula
C8H9AsN2O9
SMILES
C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])OCCO[N+](=O)[O-]
InChI
InChI=1S/C8H9AsN2O9/c12-9(13,14)6-1-2-8(7(5-6)10(15)16)19-3-4-20-11(17)18/h1-2,5H,3-4H2,(H2,12,13,14)
InChIKey
DKOFTRQOUMOWGK-UHFFFAOYSA-N
Compound name
[3-nitro-4-(2-nitrooxyethoxy)phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

351.9524 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.95968 166.0
[M+Na]+ 374.94162 170.3
[M-H]- 350.94512 180.1
[M+NH4]+ 369.98622 181.4
[M+K]+ 390.91556 161.4
[M+H-H2O]+ 334.94966 167.8
[M+HCOO]- 396.95060 197.8
[M+CH3COO]- 410.96625 183.7
[M+Na-2H]- 372.92707 175.9
[M]+ 351.95185 169.7
[M]- 351.95295 169.7
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

patents stripe