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]+ 228.94296 127.1
[M+Na]+ 250.92490 141.2
[M-H]- 226.92840 134.4
[M+NH4]+ 245.96950 149.2
[M+K]+ 266.89884 128.9
[M+H-H2O]+ 210.93294 126.9
[M+HCOO]- 272.93388 146.5
[M+CH3COO]- 286.94953 189.1
[M+Na-2H]- 248.91035 134.5
[M]+ 227.93513 147.9
[M]- 227.93623 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.