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]+ 204.94296 120.4
[M+Na]+ 226.92490 134.5
[M-H]- 202.92840 125.2
[M+NH4]+ 221.96950 141.8
[M+K]+ 242.89884 123.4
[M+H-H2O]+ 186.93294 120.8
[M+HCOO]- 248.93388 136.8
[M+CH3COO]- 262.94953 180.4
[M+Na-2H]- 224.91035 128.8
[M]+ 203.93513 141.2
[M]- 203.93623 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.