CID 75480958

4-(1h-pyrrol-1-yl)benzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C10H8FNO2S
SMILES
C1=CN(C=C1)C2=CC=C(C=C2)S(=O)(=O)F
InChI
InChI=1S/C10H8FNO2S/c11-15(13,14)10-5-3-9(4-6-10)12-7-1-2-8-12/h1-8H
InChIKey
WVHMNUTWELGLOG-UHFFFAOYSA-N
Compound name
4-pyrrol-1-ylbenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.02597 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.03325 144.6
[M+Na]+ 248.01519 155.4
[M-H]- 224.01869 149.9
[M+NH4]+ 243.05979 164.0
[M+K]+ 263.98913 151.6
[M+H-H2O]+ 208.02323 137.6
[M+HCOO]- 270.02417 163.1
[M+CH3COO]- 284.03982 183.0
[M+Na-2H]- 246.00064 148.4
[M]+ 225.02542 146.3
[M]- 225.02652 146.3
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.