CID 4778

Phenylarsine oxide

Structural Information

Molecular Formula
C6H5AsO
SMILES
C1=CC=C(C=C1)[As]=O
InChI
InChI=1S/C6H5AsO/c8-7-6-4-2-1-3-5-6/h1-5H
InChIKey
BQVCCPGCDUSGOE-UHFFFAOYSA-N
Compound name
arsorosobenzene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

583
References

3951
Patents

167.95563 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.96291 127.5
[M+Na]+ 190.94485 135.7
[M-H]- 166.94835 131.1
[M+NH4]+ 185.98945 149.9
[M+K]+ 206.91879 134.0
[M+H-H2O]+ 150.95289 121.9
[M+HCOO]- 212.95383 152.6
[M+CH3COO]- 226.96948 168.6
[M+Na-2H]- 188.93030 135.9
[M]+ 167.95508 127.5
[M]- 167.95618 127.5
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.