CID 165868819

2-chloro-6-fluorobenzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C6H3ClF2O2S
SMILES
C1=CC(=C(C(=C1)Cl)S(=O)(=O)F)F
InChI
InChI=1S/C6H3ClF2O2S/c7-4-2-1-3-5(8)6(4)12(9,10)11/h1-3H
InChIKey
HQGQEELXMZIHGN-UHFFFAOYSA-N
Compound name
2-chloro-6-fluorobenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.95103 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.958306 131.1
[M+Na]+ 234.940248 143.2
[M-H]- 210.943754 133.5
[M+NH4]+ 229.984853 151.7
[M+K]+ 250.914188 138.6
[M+H-H2O]+ 194.948290 125.7
[M+HCOO]- 256.949231 144.0
[M+CH3COO]- 270.964881 180.4
[M+Na-2H]- 232.925696 135.4
[M]+ 211.95048142 133.5
[M]- 211.95157858 133.5
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.