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

9
Patents

233.97292 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.98020 148.9
[M+Na]+ 256.96214 153.7
[M-H]- 232.96564 148.7
[M+NH4]+ 252.00674 154.0
[M+K]+ 272.93608 157.3
[M+H-H2O]+ 216.97018 135.7
[M+HCOO]- 278.97112 151.3
[M+CH3COO]- 292.98677 210.6
[M+Na-2H]- 254.94759 155.4
[M]+ 233.97237 173.4
[M]- 233.97347 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