CID 52988252

6-bromopyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C5H3BrClNO2S
SMILES
C1=CC(=NC=C1S(=O)(=O)Cl)Br
InChI
InChI=1S/C5H3BrClNO2S/c6-5-2-1-4(3-8-5)11(7,9)10/h1-3H
InChIKey
ILKASQDZWIHVOO-UHFFFAOYSA-N
Compound name
6-bromopyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

254.87564 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.88292 128.7
[M+Na]+ 277.86486 144.0
[M-H]- 253.86836 135.1
[M+NH4]+ 272.90946 150.0
[M+K]+ 293.83880 131.2
[M+H-H2O]+ 237.87290 130.5
[M+HCOO]- 299.87384 141.1
[M+CH3COO]- 313.88949 183.9
[M+Na-2H]- 275.85031 137.3
[M]+ 254.87509 151.4
[M]- 254.87619 151.4
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

patents stripe