CID 163846

Benzene, 1-fluoro-4-(2-propynylsulfonyl)-

Structural Information

Molecular Formula
C9H7FO2S
SMILES
C#CCS(=O)(=O)C1=CC=C(C=C1)F
InChI
InChI=1S/C9H7FO2S/c1-2-7-13(11,12)9-5-3-8(10)4-6-9/h1,3-6H,7H2
InChIKey
NHHLQRUSKZUHHU-UHFFFAOYSA-N
Compound name
1-fluoro-4-prop-2-ynylsulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.01508 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.022356 144.1
[M+Na]+ 221.004298 156.0
[M-H]- 197.007804 146.3
[M+NH4]+ 216.048903 162.1
[M+K]+ 236.978238 151.8
[M+H-H2O]+ 181.012340 132.3
[M+HCOO]- 243.013281 156.5
[M+CH3COO]- 257.028931 188.3
[M+Na-2H]- 218.989746 147.1
[M]+ 198.01453142 140.3
[M]- 198.01562858 140.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.