CID 165760965

2758002-79-6

Structural Information

Molecular Formula
C7H7BrClNO3S
SMILES
CC1=NC(=C(C=C1S(=O)(=O)Cl)Br)OC
InChI
InChI=1S/C7H7BrClNO3S/c1-4-6(14(9,11)12)3-5(8)7(10-4)13-2/h3H,1-2H3
InChIKey
ZNISRYQBWCSXGX-UHFFFAOYSA-N
Compound name
5-bromo-6-methoxy-2-methylpyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.90186 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.90914 139.0
[M+Na]+ 321.89108 154.7
[M-H]- 297.89458 145.6
[M+NH4]+ 316.93568 159.0
[M+K]+ 337.86502 141.9
[M+H-H2O]+ 281.89912 140.4
[M+HCOO]- 343.90006 150.8
[M+CH3COO]- 357.91571 193.6
[M+Na-2H]- 319.87653 145.6
[M]+ 298.90131 164.3
[M]- 298.90241 164.3
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.