CID 22094259

700-26-5

Structural Information

Molecular Formula
C7H9FO2S
SMILES
C1C2CC(C1C=C2)S(=O)(=O)F
InChI
InChI=1S/C7H9FO2S/c8-11(9,10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2
InChIKey
BXHUIHZOZSSHMY-UHFFFAOYSA-N
Compound name
bicyclo[2.2.1]hept-5-ene-2-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

176.03073 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.03801 135.4
[M+Na]+ 199.01995 145.6
[M-H]- 175.02345 138.0
[M+NH4]+ 194.06455 161.7
[M+K]+ 214.99389 143.7
[M+H-H2O]+ 159.02799 131.9
[M+HCOO]- 221.02893 152.1
[M+CH3COO]- 235.04458 175.5
[M+Na-2H]- 197.00540 138.6
[M]+ 176.03018 137.2
[M]- 176.03128 137.2
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