CID 137963847

Isoquinoline-5-sulfonyl fluoride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.01033 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.01761 138.4
[M+Na]+ 233.99955 149.4
[M-H]- 210.00305 141.1
[M+NH4]+ 229.04415 157.6
[M+K]+ 249.97349 145.4
[M+H-H2O]+ 194.00759 131.6
[M+HCOO]- 256.00853 154.7
[M+CH3COO]- 270.02418 181.8
[M+Na-2H]- 231.98500 146.2
[M]+ 211.00978 140.2
[M]- 211.01088 140.2
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.