CID 130049102

3-bromo-6-isothiocyanato-2-methylpyridine

Structural Information

Molecular Formula
C7H5BrN2S
SMILES
CC1=C(C=CC(=N1)N=C=S)Br
InChI
InChI=1S/C7H5BrN2S/c1-5-6(8)2-3-7(10-5)9-4-11/h2-3H,1H3
InChIKey
BRYVCKZNXDDZJV-UHFFFAOYSA-N
Compound name
3-bromo-6-isothiocyanato-2-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.93568 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.942956 127.1
[M+Na]+ 250.924898 141.2
[M-H]- 226.928404 134.4
[M+NH4]+ 245.969503 149.2
[M+K]+ 266.898838 128.9
[M+H-H2O]+ 210.932940 126.9
[M+HCOO]- 272.933881 146.5
[M+CH3COO]- 286.949531 189.1
[M+Na-2H]- 248.910346 134.5
[M]+ 227.93513142 147.9
[M]- 227.93622858 147.9
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.