CID 459224

Niosh/cy4037000

Structural Information

Molecular Formula
C10H10AsN3O4
SMILES
C1=CC(=CC=C1OC2=NC(=NC=C2)N)[As](=O)(O)O
InChI
InChI=1S/C10H10AsN3O4/c12-10-13-6-5-9(14-10)18-8-3-1-7(2-4-8)11(15,16)17/h1-6H,(H2,12,13,14)(H2,15,16,17)
InChIKey
KSFQOTIAWHARQB-UHFFFAOYSA-N
Compound name
[4-(2-aminopyrimidin-4-yl)oxyphenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.98874 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.99602 163.9
[M+Na]+ 333.97796 171.6
[M-H]- 309.98146 165.1
[M+NH4]+ 329.02256 175.6
[M+K]+ 349.95190 167.8
[M+H-H2O]+ 293.98600 155.1
[M+HCOO]- 355.98694 182.7
[M+CH3COO]- 370.00259 190.6
[M+Na-2H]- 331.96341 170.5
[M]+ 310.98819 162.7
[M]- 310.98929 162.7
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.