CID 114338

63834-20-8

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]+ 344.88835 162.4
[M+Na]+ 366.87029 172.4
[M-H]- 342.87379 167.6
[M+NH4]+ 361.91489 180.7
[M+K]+ 382.84423 167.1
[M+H-H2O]+ 326.87833 157.8
[M+HCOO]- 388.87927 167.3
[M+CH3COO]- 402.89492 174.1
[M+Na-2H]- 364.85574 167.4
[M]+ 343.88052 167.8
[M]- 343.88162 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.