CID 18588

2-(chloromethyl)thiirane

Structural Information

Molecular Formula
C3H5ClS
SMILES
C1C(S1)CCl
InChI
InChI=1S/C3H5ClS/c4-1-3-2-5-3/h3H,1-2H2
InChIKey
XRWMHJJHPQTTLQ-UHFFFAOYSA-N
Compound name
2-(chloromethyl)thiirane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

973
Patents

107.98005 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.987326 110.5
[M+Na]+ 130.969268 121.0
[M-H]- 106.972774 115.5
[M+NH4]+ 126.013873 129.8
[M+K]+ 146.943208 118.3
[M+H-H2O]+ 90.977310 106.0
[M+HCOO]- 152.978251 125.9
[M+CH3COO]- 166.993901 168.7
[M+Na-2H]- 128.954716 115.9
[M]+ 107.97950142 115.1
[M]- 107.98059858 115.1
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