CID 131602674

2059937-11-8

Structural Information

Molecular Formula
C10H10ClFO2S
SMILES
C1CC2=C(CC1S(=O)(=O)Cl)C=CC(=C2)F
InChI
InChI=1S/C10H10ClFO2S/c11-15(13,14)10-4-2-7-5-9(12)3-1-8(7)6-10/h1,3,5,10H,2,4,6H2
InChIKey
ZUMJJYIQVSJEFR-UHFFFAOYSA-N
Compound name
6-fluoro-1,2,3,4-tetrahydronaphthalene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.0074 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.01468 145.9
[M+Na]+ 270.99662 155.8
[M-H]- 247.00012 149.4
[M+NH4]+ 266.04122 166.0
[M+K]+ 286.97056 150.7
[M+H-H2O]+ 231.00466 141.0
[M+HCOO]- 293.00560 155.7
[M+CH3COO]- 307.02125 187.8
[M+Na-2H]- 268.98207 150.5
[M]+ 248.00685 147.3
[M]- 248.00795 147.3
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.