CID 137951434

3-chloro-6-fluoroisoquinoline-5-sulfonyl chloride

Structural Information

Molecular Formula
C9H4Cl2FNO2S
SMILES
C1=CC(=C(C2=CC(=NC=C21)Cl)S(=O)(=O)Cl)F
InChI
InChI=1S/C9H4Cl2FNO2S/c10-8-3-6-5(4-13-8)1-2-7(12)9(6)16(11,14)15/h1-4H
InChIKey
IGMAHGHWXBDKKG-UHFFFAOYSA-N
Compound name
3-chloro-6-fluoroisoquinoline-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.93237 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.93965 152.1
[M+Na]+ 301.92159 167.1
[M+NH4]+ 296.96619 160.6
[M+K]+ 317.89553 158.0
[M-H]- 277.92509 152.4
[M+Na-2H]- 299.90704 158.4
[M]+ 278.93182 155.5
[M]- 278.93292 155.5
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.