CID 112731259

3-bromoquinoline-8-sulfonyl chloride

Structural Information

Molecular Formula
C9H5BrClNO2S
SMILES
C1=CC2=CC(=CN=C2C(=C1)S(=O)(=O)Cl)Br
InChI
InChI=1S/C9H5BrClNO2S/c10-7-4-6-2-1-3-8(15(11,13)14)9(6)12-5-7/h1-5H
InChIKey
VRNVXFXUYYVPDL-UHFFFAOYSA-N
Compound name
3-bromoquinoline-8-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.8913 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.89858 142.6
[M+Na]+ 327.88052 158.3
[M-H]- 303.88402 149.7
[M+NH4]+ 322.92512 163.2
[M+K]+ 343.85446 144.9
[M+H-H2O]+ 287.88856 144.4
[M+HCOO]- 349.88950 153.8
[M+CH3COO]- 363.90515 193.8
[M+Na-2H]- 325.86597 152.0
[M]+ 304.89075 166.4
[M]- 304.89185 166.4
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

No patent data available for this compound.