CID 85810839

3-cyanobenzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C7H4FNO2S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)F)C#N
InChI
InChI=1S/C7H4FNO2S/c8-12(10,11)7-3-1-2-6(4-7)5-9/h1-4H
InChIKey
XHDHNTIGKYTAGT-UHFFFAOYSA-N
Compound name
3-cyanobenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

184.99467 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.00195 140.0
[M+Na]+ 207.98389 152.0
[M-H]- 183.98739 143.5
[M+NH4]+ 203.02849 158.6
[M+K]+ 223.95783 149.1
[M+H-H2O]+ 167.99193 127.7
[M+HCOO]- 229.99287 154.9
[M+CH3COO]- 244.00852 189.5
[M+Na-2H]- 205.96934 144.5
[M]+ 184.99412 136.4
[M]- 184.99522 136.4
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