CID 14289526

1-fluoro-4-(propane-2-sulfonyl)benzene

Structural Information

Molecular Formula
C9H11FO2S
SMILES
CC(C)S(=O)(=O)C1=CC=C(C=C1)F
InChI
InChI=1S/C9H11FO2S/c1-7(2)13(11,12)9-5-3-8(10)4-6-9/h3-7H,1-2H3
InChIKey
HDBPGUFVMVNSOC-UHFFFAOYSA-N
Compound name
1-fluoro-4-propan-2-ylsulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

202.04637 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.053646 138.0
[M+Na]+ 225.035588 147.0
[M-H]- 201.039094 141.0
[M+NH4]+ 220.080193 157.9
[M+K]+ 241.009528 144.4
[M+H-H2O]+ 185.043630 131.9
[M+HCOO]- 247.044571 154.4
[M+CH3COO]- 261.060221 182.5
[M+Na-2H]- 223.021036 141.2
[M]+ 202.04582142 139.7
[M]- 202.04691858 139.7
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