CID 17330

Rhizoctol

Structural Information

Molecular Formula
CH3AsS
SMILES
C[As]=S
InChI
InChI=1S/CH3AsS/c1-2-3/h1H3
InChIKey
HZQMVTWIBHMLHY-UHFFFAOYSA-N
Compound name
thioarsorosomethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

121.917145 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.92442 116.0
[M+Na]+ 144.90636 124.8
[M-H]- 120.90987 116.9
[M+NH4]+ 139.95097 141.0
[M+K]+ 160.88030 124.0
[M+H-H2O]+ 104.91440 111.8
[M+HCOO]- 166.91535 135.1
[M+CH3COO]- 180.93100 160.4
[M+Na-2H]- 142.89181 120.3
[M]+ 121.91660 117.2
[M]- 121.91769 117.2
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