CID 137887639

2169135-47-9

Structural Information

Molecular Formula
C6H4BrCl2NO2S
SMILES
CC1=C(C(=NC=C1S(=O)(=O)Cl)Cl)Br
InChI
InChI=1S/C6H4BrCl2NO2S/c1-3-4(13(9,11)12)2-10-6(8)5(3)7/h2H,1H3
InChIKey
GPJANTVJHIOAKS-UHFFFAOYSA-N
Compound name
5-bromo-6-chloro-4-methylpyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.85233 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.85961 136.2
[M+Na]+ 325.84155 152.9
[M-H]- 301.84505 142.5
[M+NH4]+ 320.88615 156.6
[M+K]+ 341.81549 138.7
[M+H-H2O]+ 285.84959 138.7
[M+HCOO]- 347.85053 143.3
[M+CH3COO]- 361.86618 193.2
[M+Na-2H]- 323.82700 142.6
[M]+ 302.85178 160.3
[M]- 302.85288 160.3
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.