CID 114338

Phenoxathiin, 2-dichloroarsino-

Structural Information

Molecular Formula
C12H7AsCl2OS
SMILES
C1=CC=C2C(=C1)OC3=C(S2)C=CC(=C3)[As](Cl)Cl
InChI
InChI=1S/C12H7AsCl2OS/c14-13(15)8-5-6-12-10(7-8)16-9-3-1-2-4-11(9)17-12/h1-7H
InChIKey
ZWWQJSTYWSMYBD-UHFFFAOYSA-N
Compound name
dichloro(phenoxathiin-3-yl)arsane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.88107 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.888346 162.4
[M+Na]+ 366.870288 172.4
[M-H]- 342.873794 167.6
[M+NH4]+ 361.914893 180.7
[M+K]+ 382.844228 167.1
[M+H-H2O]+ 326.878330 157.8
[M+HCOO]- 388.879271 167.3
[M+CH3COO]- 402.894921 174.1
[M+Na-2H]- 364.855736 167.4
[M]+ 343.88052142 167.8
[M]- 343.88161858 167.8
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.