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]+ 199.02236 144.1
[M+Na]+ 221.00430 156.0
[M-H]- 197.00780 146.3
[M+NH4]+ 216.04890 162.1
[M+K]+ 236.97824 151.8
[M+H-H2O]+ 181.01234 132.3
[M+HCOO]- 243.01328 156.5
[M+CH3COO]- 257.02893 188.3
[M+Na-2H]- 218.98975 147.1
[M]+ 198.01453 140.3
[M]- 198.01563 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.