CID 155821595

2649068-54-0

Structural Information

Molecular Formula
C7H7BrN2OS
SMILES
CS1(=NCC2=C1N=CC(=C2)Br)=O
InChI
InChI=1S/C7H7BrN2OS/c1-12(11)7-5(3-10-12)2-6(8)4-9-7/h2,4H,3H2,1H3
InChIKey
NXMMIKJCEFAJMM-UHFFFAOYSA-N
Compound name
5-bromo-1-methyl-3H-[1,2]thiazolo[5,4-b]pyridine 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.94624 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.95352 130.3
[M+Na]+ 268.93546 147.0
[M-H]- 244.93896 136.7
[M+NH4]+ 263.98006 155.1
[M+K]+ 284.90940 135.8
[M+H-H2O]+ 228.94350 132.1
[M+HCOO]- 290.94444 147.5
[M+CH3COO]- 304.96009 147.4
[M+Na-2H]- 266.92091 138.9
[M]+ 245.94569 153.4
[M]- 245.94679 153.4
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

No patent data available for this compound.