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
2
Annotation Hits

0
References

877
Patents

107.98005 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.98733 116.5
[M+Na]+ 130.96927 130.1
[M+NH4]+ 126.01387 127.6
[M+K]+ 146.94321 123.0
[M-H]- 106.97277 125.4
[M+Na-2H]- 128.95472 125.1
[M]+ 107.97950 122.7
[M]- 107.98060 122.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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