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 147.1
[M+Na]+ 283.95107 154.7
[M-H]- 259.95457 148.6
[M+NH4]+ 278.99567 163.8
[M+K]+ 299.92501 148.6
[M+H-H2O]+ 243.95911 146.4
[M+HCOO]- 305.96005 168.8
[M+CH3COO]- 319.97570 174.0
[M+Na-2H]- 281.93652 154.9
[M]+ 260.96130 145.6
[M]- 260.96240 145.6
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.