CID 91809545

1159977-67-9

Structural Information

Molecular Formula
C5H5BrN2S
SMILES
CSC1=NN=C(C=C1)Br
InChI
InChI=1S/C5H5BrN2S/c1-9-5-3-2-4(6)7-8-5/h2-3H,1H3
InChIKey
SYHKGJULCPNBCX-UHFFFAOYSA-N
Compound name
3-bromo-6-methylsulfanylpyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.93568 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.942956 120.4
[M+Na]+ 226.924898 134.5
[M-H]- 202.928404 125.2
[M+NH4]+ 221.969503 141.8
[M+K]+ 242.898838 123.4
[M+H-H2O]+ 186.932940 120.8
[M+HCOO]- 248.933881 136.8
[M+CH3COO]- 262.949531 180.4
[M+Na-2H]- 224.910346 128.8
[M]+ 203.93513142 141.2
[M]- 203.93622858 141.2
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.