CID 223807

(4-methyl-3-nitrophenyl)arsonic acid

Structural Information

Molecular Formula
C7H8AsNO5
SMILES
CC1=C(C=C(C=C1)[As](=O)(O)O)[N+](=O)[O-]
InChI
InChI=1S/C7H8AsNO5/c1-5-2-3-6(8(10,11)12)4-7(5)9(13)14/h2-4H,1H3,(H2,10,11,12)
InChIKey
ZZCRGEZBCCUBTK-UHFFFAOYSA-N
Compound name
(4-methyl-3-nitrophenyl)arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.96185 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.96913 145.0
[M+Na]+ 283.95107 156.4
[M+NH4]+ 278.99567 151.0
[M+K]+ 299.92501 155.5
[M-H]- 259.95457 145.4
[M+Na-2H]- 281.93652 149.0
[M]+ 260.96130 146.4
[M]- 260.96240 146.4
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

No patent data available for this compound.