CID 155821323

3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H6ClF3O2S
SMILES
C1C2(CC1(C2)S(=O)(=O)Cl)C(F)(F)F
InChI
InChI=1S/C6H6ClF3O2S/c7-13(11,12)5-1-4(2-5,3-5)6(8,9)10/h1-3H2
InChIKey
LHXXVXLSXOONOL-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

233.97292 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.980196 148.9
[M+Na]+ 256.962138 153.7
[M-H]- 232.965644 148.7
[M+NH4]+ 252.006743 154.0
[M+K]+ 272.936078 157.3
[M+H-H2O]+ 216.970180 135.7
[M+HCOO]- 278.971121 151.3
[M+CH3COO]- 292.986771 210.6
[M+Na-2H]- 254.947586 155.4
[M]+ 233.97237142 173.4
[M]- 233.97346858 173.4
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