CID 459221

3-nitro-n-phenylarsanilic acid

Structural Information

Molecular Formula
C12H11AsN2O5
SMILES
C1=CC=C(C=C1)NC2=C(C=C(C=C2)[As](=O)(O)O)[N+](=O)[O-]
InChI
InChI=1S/C12H11AsN2O5/c16-13(17,18)9-6-7-11(12(8-9)15(19)20)14-10-4-2-1-3-5-10/h1-8,14H,(H2,16,17,18)
InChIKey
FYGQHNJMRZNIGL-UHFFFAOYSA-N
Compound name
(4-anilino-3-nitrophenyl)arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.9884 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.99568 166.3
[M+Na]+ 360.97762 171.3
[M-H]- 336.98112 170.3
[M+NH4]+ 356.02222 178.7
[M+K]+ 376.95156 163.7
[M+H-H2O]+ 320.98566 163.0
[M+HCOO]- 382.98660 188.5
[M+CH3COO]- 397.00225 190.2
[M+Na-2H]- 358.96307 174.6
[M]+ 337.98785 163.1
[M]- 337.98895 163.1
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

No patent data available for this compound.