CID 137949937

2172019-17-7

Structural Information

Molecular Formula
C9H12ClF3O2S
SMILES
C1CC2(C1)CC(C2)(CS(=O)(=O)Cl)C(F)(F)F
InChI
InChI=1S/C9H12ClF3O2S/c10-16(14,15)6-8(9(11,12)13)4-7(5-8)2-1-3-7/h1-6H2
InChIKey
RPNWRCDGRUWNGH-UHFFFAOYSA-N
Compound name
[2-(trifluoromethyl)spiro[3.3]heptan-2-yl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.01987 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.02715 139.2
[M+Na]+ 299.00909 144.6
[M-H]- 275.01259 140.7
[M+NH4]+ 294.05369 147.2
[M+K]+ 314.98303 145.8
[M+H-H2O]+ 259.01713 126.4
[M+HCOO]- 321.01807 144.0
[M+CH3COO]- 335.03372 201.4
[M+Na-2H]- 296.99454 144.1
[M]+ 276.01932 154.2
[M]- 276.02042 154.2
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.