CID 2761413

1-fluoro-2-((methylsulfonyl)methyl)benzene

Structural Information

Molecular Formula
C8H9FO2S
SMILES
CS(=O)(=O)CC1=CC=CC=C1F
InChI
InChI=1S/C8H9FO2S/c1-12(10,11)6-7-4-2-3-5-8(7)9/h2-5H,6H2,1H3
InChIKey
MHDGOXPEXQDBPW-UHFFFAOYSA-N
Compound name
1-fluoro-2-(methylsulfonylmethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

188.03073 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.03801 133.8
[M+Na]+ 211.01995 143.6
[M-H]- 187.02345 136.9
[M+NH4]+ 206.06455 154.3
[M+K]+ 226.99389 140.7
[M+H-H2O]+ 171.02799 127.8
[M+HCOO]- 233.02893 151.7
[M+CH3COO]- 247.04458 178.7
[M+Na-2H]- 209.00540 138.6
[M]+ 188.03018 135.8
[M]- 188.03128 135.8
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