CID 39232

5-(chloromethyl)-2,2-dimethyl-1,3-oxathiolane

Structural Information

Molecular Formula
C6H11ClOS
SMILES
CC1(OC(CS1)CCl)C
InChI
InChI=1S/C6H11ClOS/c1-6(2)8-5(3-7)4-9-6/h5H,3-4H2,1-2H3
InChIKey
AOCXFMADTQAYDD-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-2,2-dimethyl-1,3-oxathiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.02191 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.02919 130.3
[M+Na]+ 189.01113 139.6
[M-H]- 165.01463 135.0
[M+NH4]+ 184.05573 155.1
[M+K]+ 204.98507 138.2
[M+H-H2O]+ 149.01917 127.8
[M+HCOO]- 211.02011 143.2
[M+CH3COO]- 225.03576 173.6
[M+Na-2H]- 186.99658 133.7
[M]+ 166.02136 133.6
[M]- 166.02246 133.6
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.