CID 13126699

3-bromopyridazine

Structural Information

Molecular Formula
C4H3BrN2
SMILES
C1=CC(=NN=C1)Br
InChI
InChI=1S/C4H3BrN2/c5-4-2-1-3-6-7-4/h1-3H
InChIKey
ILYSUJOMLYXAOC-UHFFFAOYSA-N
Compound name
3-bromopyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1020
Patents

157.94797 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.95525 118.0
[M+Na]+ 180.93719 130.8
[M-H]- 156.94069 122.1
[M+NH4]+ 175.98179 140.0
[M+K]+ 196.91113 121.1
[M+H-H2O]+ 140.94523 118.0
[M+HCOO]- 202.94617 139.4
[M+CH3COO]- 216.96182 173.0
[M+Na-2H]- 178.92264 130.3
[M]+ 157.94742 136.0
[M]- 157.94852 136.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe