CID 87439724

4-fluoro-2-(propan-2-yl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H10ClFO2S
SMILES
CC(C)C1=C(C=CC(=C1)F)S(=O)(=O)Cl
InChI
InChI=1S/C9H10ClFO2S/c1-6(2)8-5-7(11)3-4-9(8)14(10,12)13/h3-6H,1-2H3
InChIKey
USMWUOJCJQSUDJ-UHFFFAOYSA-N
Compound name
4-fluoro-2-propan-2-ylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

236.0074 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.01468 142.0
[M+Na]+ 258.99662 152.5
[M-H]- 235.00012 145.5
[M+NH4]+ 254.04122 161.7
[M+K]+ 274.97056 148.1
[M+H-H2O]+ 219.00466 137.2
[M+HCOO]- 281.00560 154.0
[M+CH3COO]- 295.02125 187.5
[M+Na-2H]- 256.98207 144.4
[M]+ 236.00685 146.1
[M]- 236.00795 146.1
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