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]+ 203.05365 138.0
[M+Na]+ 225.03559 147.0
[M-H]- 201.03909 141.0
[M+NH4]+ 220.08019 157.9
[M+K]+ 241.00953 144.4
[M+H-H2O]+ 185.04363 131.9
[M+HCOO]- 247.04457 154.5
[M+CH3COO]- 261.06022 182.5
[M+Na-2H]- 223.02104 141.2
[M]+ 202.04582 139.7
[M]- 202.04692 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