CID 223347

Nsc10905

Structural Information

Molecular Formula
C10H10AsNO3
SMILES
CC1=C2C(=C(C=C1)[As](=O)(O)O)C=CC=N2
InChI
InChI=1S/C10H10AsNO3/c1-7-4-5-9(11(13,14)15)8-3-2-6-12-10(7)8/h2-6H,1H3,(H2,13,14,15)
InChIKey
BRVZIPCEDJLNNF-UHFFFAOYSA-N
Compound name
(8-methylquinolin-5-yl)arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.98767 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.99495 153.4
[M+Na]+ 289.97689 162.4
[M-H]- 265.98039 154.1
[M+NH4]+ 285.02149 170.5
[M+K]+ 305.95083 158.6
[M+H-H2O]+ 249.98493 146.9
[M+HCOO]- 311.98587 171.4
[M+CH3COO]- 326.00152 182.5
[M+Na-2H]- 287.96234 161.1
[M]+ 266.98712 153.5
[M]- 266.98822 153.5
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.