CID 13705583

109520-03-8

Structural Information

Molecular Formula
C5H6BrN3
SMILES
CC1=C(C(=NN=N1)C)Br
InChI
InChI=1S/C5H6BrN3/c1-3-5(6)4(2)8-9-7-3/h1-2H3
InChIKey
VEZFVJJPDSCEJH-UHFFFAOYSA-N
Compound name
5-bromo-4,6-dimethyltriazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

186.9745 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.98178 125.5
[M+Na]+ 209.96372 139.8
[M-H]- 185.96722 128.8
[M+NH4]+ 205.00832 145.7
[M+K]+ 225.93766 129.4
[M+H-H2O]+ 169.97176 125.0
[M+HCOO]- 231.97270 145.3
[M+CH3COO]- 245.98835 180.5
[M+Na-2H]- 207.94917 135.9
[M]+ 186.97395 145.0
[M]- 186.97505 145.0
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