CID 46840

Diphenylarsinic acid nitrate

Structural Information

Molecular Formula
C12H10AsNO4
SMILES
C1=CC=C(C=C1)[As](=O)(C2=CC=CC=C2)O[N+](=O)[O-]
InChI
InChI=1S/C12H10AsNO4/c15-13(18-14(16)17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKey
HDHHXYBKTPBGPR-UHFFFAOYSA-N
Compound name
diphenylarsoryl nitrate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.98257 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.98985 162.5
[M+Na]+ 329.97179 167.9
[M-H]- 305.97529 168.7
[M+NH4]+ 325.01639 177.6
[M+K]+ 345.94573 161.3
[M+H-H2O]+ 289.97983 159.0
[M+HCOO]- 351.98077 186.6
[M+CH3COO]- 365.99642 186.2
[M+Na-2H]- 327.95724 171.9
[M]+ 306.98202 161.6
[M]- 306.98312 161.6
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.