CID 165983412

7-bromo-3-methyl-1-benzothiophene-2-sulfonyl fluoride

Structural Information

Molecular Formula
C9H6BrFO2S2
SMILES
CC1=C(SC2=C1C=CC=C2Br)S(=O)(=O)F
InChI
InChI=1S/C9H6BrFO2S2/c1-5-6-3-2-4-7(10)8(6)14-9(5)15(11,12)13/h2-4H,1H3
InChIKey
OWIWNRXFIYDFOH-UHFFFAOYSA-N
Compound name
7-bromo-3-methyl-1-benzothiophene-2-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.89767 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.90495 142.6
[M+Na]+ 330.88689 159.8
[M-H]- 306.89039 150.2
[M+NH4]+ 325.93149 165.8
[M+K]+ 346.86083 146.6
[M+H-H2O]+ 290.89493 144.2
[M+HCOO]- 352.89587 155.2
[M+CH3COO]- 366.91152 195.5
[M+Na-2H]- 328.87234 148.1
[M]+ 307.89712 166.3
[M]- 307.89822 166.3
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.