CID 82284884

4-tert-butylbenzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C10H13FO2S
SMILES
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)F
InChI
InChI=1S/C10H13FO2S/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3
InChIKey
YMGHXAOUCWPSDV-UHFFFAOYSA-N
Compound name
4-tert-butylbenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

216.06203 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06931 143.1
[M+Na]+ 239.05125 152.4
[M-H]- 215.05475 146.2
[M+NH4]+ 234.09585 162.6
[M+K]+ 255.02519 149.5
[M+H-H2O]+ 199.05929 137.3
[M+HCOO]- 261.06023 158.7
[M+CH3COO]- 275.07588 184.5
[M+Na-2H]- 237.03670 147.8
[M]+ 216.06148 145.2
[M]- 216.06258 145.2
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

patents stripe