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

3960
Patents

167.95563 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.962906 127.5
[M+Na]+ 190.944848 135.7
[M-H]- 166.948354 131.1
[M+NH4]+ 185.989453 149.9
[M+K]+ 206.918788 134.0
[M+H-H2O]+ 150.952890 121.9
[M+HCOO]- 212.953831 152.6
[M+CH3COO]- 226.969481 168.6
[M+Na-2H]- 188.930296 135.9
[M]+ 167.95508142 127.5
[M]- 167.95617858 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

literature stripe

Patent stripe

patents stripe