CID 12914478

1-chloro-1-(methylsulfanyl)ethane

Structural Information

Molecular Formula
C3H7ClS
SMILES
CC(SC)Cl
InChI
InChI=1S/C3H7ClS/c1-3(4)5-2/h3H,1-2H3
InChIKey
XFVMALALJWFNST-UHFFFAOYSA-N
Compound name
1-chloro-1-methylsulfanylethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

109.9957 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.00298 115.8
[M+Na]+ 132.98492 124.7
[M-H]- 108.98842 116.9
[M+NH4]+ 128.02952 140.2
[M+K]+ 148.95886 122.8
[M+H-H2O]+ 92.992960 113.0
[M+HCOO]- 154.99390 129.5
[M+CH3COO]- 169.00955 167.1
[M+Na-2H]- 130.97037 119.3
[M]+ 109.99515 119.0
[M]- 109.99625 119.0
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