CID 2757076

4-bromonaphthalene-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H6BrClO2S
SMILES
C1=CC=C2C(=C1)C(=CC=C2Br)S(=O)(=O)Cl
InChI
InChI=1S/C10H6BrClO2S/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9/h1-6H
InChIKey
MNBFYZPSEJKTFA-UHFFFAOYSA-N
Compound name
4-bromonaphthalene-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

303.89603 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.90331 144.4
[M+Na]+ 326.88525 159.7
[M-H]- 302.88875 152.7
[M+NH4]+ 321.92985 166.3
[M+K]+ 342.85919 146.2
[M+H-H2O]+ 286.89329 146.7
[M+HCOO]- 348.89423 156.4
[M+CH3COO]- 362.90988 194.2
[M+Na-2H]- 324.87070 153.2
[M]+ 303.89548 168.1
[M]- 303.89658 168.1
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