CID 155819899

2470440-52-7

Structural Information

Molecular Formula
C7H8FNO2S2
SMILES
C1CN(CC2=C1SC=C2)S(=O)(=O)F
InChI
InChI=1S/C7H8FNO2S2/c8-13(10,11)9-3-1-7-6(5-9)2-4-12-7/h2,4H,1,3,5H2
InChIKey
UBALFCNMSUHHPK-UHFFFAOYSA-N
Compound name
6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.99805 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.00533 142.1
[M+Na]+ 243.98727 152.1
[M-H]- 219.99077 144.0
[M+NH4]+ 239.03187 162.9
[M+K]+ 259.96121 148.5
[M+H-H2O]+ 203.99531 136.8
[M+HCOO]- 265.99625 151.6
[M+CH3COO]- 280.01190 181.4
[M+Na-2H]- 241.97272 144.5
[M]+ 220.99750 142.6
[M]- 220.99860 142.6
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.