CID 225783

5440-06-2

Structural Information

Molecular Formula
C6H7AsN2O5
SMILES
C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])N
InChI
InChI=1S/C6H7AsN2O5/c8-5-2-1-4(7(10,11)12)3-6(5)9(13)14/h1-3H,8H2,(H2,10,11,12)
InChIKey
HGQKJRQCBRAOKC-UHFFFAOYSA-N
Compound name
(4-amino-3-nitrophenyl)arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

261.9571 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.96438 145.5
[M+Na]+ 284.94632 152.4
[M-H]- 260.94982 146.4
[M+NH4]+ 279.99092 161.4
[M+K]+ 300.92026 146.2
[M+H-H2O]+ 244.95436 144.3
[M+HCOO]- 306.95530 167.8
[M+CH3COO]- 320.97095 175.3
[M+Na-2H]- 282.93177 153.2
[M]+ 261.95655 141.8
[M]- 261.95765 141.8
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