CID 223349

Nsc10910

Structural Information

Molecular Formula
C12H14AsNO3
SMILES
CC1=CC=C(N1C2=CC=C(C=C2)[As](=O)(O)O)C
InChI
InChI=1S/C12H14AsNO3/c1-9-3-4-10(2)14(9)12-7-5-11(6-8-12)13(15,16)17/h3-8H,1-2H3,(H2,15,16,17)
InChIKey
BPEWOHDZMKMQOL-UHFFFAOYSA-N
Compound name
[4-(2,5-dimethylpyrrol-1-yl)phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.01895 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.02623 162.1
[M+Na]+ 318.00817 170.9
[M-H]- 294.01167 165.4
[M+NH4]+ 313.05277 178.9
[M+K]+ 333.98211 166.9
[M+H-H2O]+ 278.01621 155.4
[M+HCOO]- 340.01715 181.8
[M+CH3COO]- 354.03280 187.8
[M+Na-2H]- 315.99362 164.9
[M]+ 295.01840 162.6
[M]- 295.01950 162.6
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.