CID 122164553

Isoquinoline-6-sulfonyl fluoride

Structural Information

Molecular Formula
C9H6FNO2S
SMILES
C1=CC2=C(C=CN=C2)C=C1S(=O)(=O)F
InChI
InChI=1S/C9H6FNO2S/c10-14(12,13)9-2-1-8-6-11-4-3-7(8)5-9/h1-6H
InChIKey
OPTGZNFRKOIQSE-UHFFFAOYSA-N
Compound name
isoquinoline-6-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.01033 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.01761 140.5
[M+Na]+ 233.99955 153.8
[M+NH4]+ 229.04415 148.8
[M+K]+ 249.97349 145.7
[M-H]- 210.00305 140.8
[M+Na-2H]- 231.98500 147.3
[M]+ 211.00978 143.0
[M]- 211.01088 143.0
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.