CID 11856547

4-fluoroisoquinoline-5-sulfonyl chloride

Structural Information

Molecular Formula
C9H5ClFNO2S
SMILES
C1=CC2=CN=CC(=C2C(=C1)S(=O)(=O)Cl)F
InChI
InChI=1S/C9H5ClFNO2S/c10-15(13,14)8-3-1-2-6-4-12-5-7(11)9(6)8/h1-5H
InChIKey
UZUCKWMDQGESLP-UHFFFAOYSA-N
Compound name
4-fluoroisoquinoline-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

84
Patents

244.97136 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.97864 146.0
[M+Na]+ 267.96058 160.3
[M+NH4]+ 263.00518 154.4
[M+K]+ 283.93452 151.5
[M-H]- 243.96408 146.3
[M+Na-2H]- 265.94603 152.6
[M]+ 244.97081 148.9
[M]- 244.97191 148.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe