CID 20324474

5-bromopyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C5H3BrClNO2S
SMILES
C1=C(C=NC=C1Br)S(=O)(=O)Cl
InChI
InChI=1S/C5H3BrClNO2S/c6-4-1-5(3-8-2-4)11(7,9)10/h1-3H
InChIKey
AVILRJQPDYPXFQ-UHFFFAOYSA-N
Compound name
5-bromopyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

405
Patents

254.87564 Da
Monoisotopic Mass

1.6
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

literature stripe

Patent stripe

patents stripe