CID 79424

2-nitrophenylarsonic acid

Structural Information

Molecular Formula
C6H6AsNO5
SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])[As](=O)(O)O
InChI
InChI=1S/C6H6AsNO5/c9-7(10,11)5-3-1-2-4-6(5)8(12)13/h1-4H,(H2,9,10,11)
InChIKey
UYEDGVZDGVIURN-UHFFFAOYSA-N
Compound name
(2-nitrophenyl)arsonic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

56
Patents

246.9462 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.95348 142.9
[M+Na]+ 269.93542 150.0
[M-H]- 245.93892 144.2
[M+NH4]+ 264.98002 159.9
[M+K]+ 285.90936 144.1
[M+H-H2O]+ 229.94346 142.1
[M+HCOO]- 291.94440 165.0
[M+CH3COO]- 305.96005 169.7
[M+Na-2H]- 267.92087 151.8
[M]+ 246.94565 140.7
[M]- 246.94675 140.7
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