CID 155821340

2445792-30-1

Structural Information

Molecular Formula
C7H8ClF3O2S
SMILES
C1C2(CC1(C2)C(F)(F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C7H8ClF3O2S/c8-14(12,13)4-5-1-6(2-5,3-5)7(9,10)11/h1-4H2
InChIKey
RTQNGOWAHKWKLX-UHFFFAOYSA-N
Compound name
[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.98856 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.99584 152.9
[M+Na]+ 270.97778 157.4
[M-H]- 246.98128 152.5
[M+NH4]+ 266.02238 157.6
[M+K]+ 286.95172 160.8
[M+H-H2O]+ 230.98582 139.5
[M+HCOO]- 292.98676 155.0
[M+CH3COO]- 307.00241 212.8
[M+Na-2H]- 268.96323 159.0
[M]+ 247.98801 177.6
[M]- 247.98911 177.6
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.