CID 176437445

1-(4-fluorobenzenesulfonyl)bicyclo[1.1.0]butane

Structural Information

Molecular Formula
C10H9FO2S
SMILES
C1C2C1(C2)S(=O)(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C10H9FO2S/c11-8-1-3-9(4-2-8)14(12,13)10-5-7(10)6-10/h1-4,7H,5-6H2
InChIKey
GXVMRVJMZGCJSF-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)sulfonylbicyclo[1.1.0]butane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.03073 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03801 147.6
[M+Na]+ 235.01995 157.1
[M-H]- 211.02345 154.4
[M+NH4]+ 230.06455 157.9
[M+K]+ 250.99389 155.6
[M+H-H2O]+ 195.02799 142.1
[M+HCOO]- 257.02893 161.8
[M+CH3COO]- 271.04458 195.3
[M+Na-2H]- 233.00540 152.5
[M]+ 212.03018 153.7
[M]- 212.03128 153.7
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.