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]+ 177.038006 135.4
[M+Na]+ 199.019948 145.6
[M-H]- 175.023454 138.0
[M+NH4]+ 194.064553 161.7
[M+K]+ 214.993888 143.7
[M+H-H2O]+ 159.027990 131.9
[M+HCOO]- 221.028931 152.1
[M+CH3COO]- 235.044581 175.5
[M+Na-2H]- 197.005396 138.6
[M]+ 176.03018142 137.2
[M]- 176.03127858 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