CID 13905235

5-bromo-1,2,3-triazine

Structural Information

Molecular Formula
C3H2BrN3
SMILES
C1=C(C=NN=N1)Br
InChI
InChI=1S/C3H2BrN3/c4-3-1-5-7-6-2-3/h1-2H
InChIKey
LSBKXRBABHPHBW-UHFFFAOYSA-N
Compound name
5-bromotriazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

158.9432 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.95048 116.7
[M+Na]+ 181.93242 130.0
[M-H]- 157.93592 119.6
[M+NH4]+ 176.97702 137.4
[M+K]+ 197.90636 120.3
[M+H-H2O]+ 141.94046 116.2
[M+HCOO]- 203.94140 137.2
[M+CH3COO]- 217.95705 172.9
[M+Na-2H]- 179.91787 129.6
[M]+ 158.94265 134.9
[M]- 158.94375 134.9
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