CID 237797

Toluene, p-arsenoso-

Structural Information

Molecular Formula
C7H7AsO
SMILES
CC1=CC=C(C=C1)[As]=O
InChI
InChI=1S/C7H7AsO/c1-6-2-4-7(8-9)5-3-6/h2-5H,1H3
InChIKey
PWOCQGLOCGJPDU-UHFFFAOYSA-N
Compound name
1-arsoroso-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

181.97128 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.97856 131.4
[M+Na]+ 204.96050 140.1
[M-H]- 180.96400 135.2
[M+NH4]+ 200.00510 153.6
[M+K]+ 220.93444 138.3
[M+H-H2O]+ 164.96854 125.9
[M+HCOO]- 226.96948 156.2
[M+CH3COO]- 240.98513 172.7
[M+Na-2H]- 202.94595 138.6
[M]+ 181.97073 132.2
[M]- 181.97183 132.2
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

patents stripe