CID 146049645

2411266-62-9

Structural Information

Molecular Formula
C10H10ClF3O2S
SMILES
CC(C)(C1=CC(=CC=C1)S(=O)(=O)Cl)C(F)(F)F
InChI
InChI=1S/C10H10ClF3O2S/c1-9(2,10(12,13)14)7-4-3-5-8(6-7)17(11,15)16/h3-6H,1-2H3
InChIKey
AOOPZBSTBRAAQP-UHFFFAOYSA-N
Compound name
3-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0042 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.01148 152.7
[M+Na]+ 308.99342 163.0
[M-H]- 284.99692 153.4
[M+NH4]+ 304.03802 170.1
[M+K]+ 324.96736 158.0
[M+H-H2O]+ 269.00146 146.1
[M+HCOO]- 331.00240 160.3
[M+CH3COO]- 345.01805 194.3
[M+Na-2H]- 306.97887 157.1
[M]+ 286.00365 153.8
[M]- 286.00475 153.8
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.