CID 82394957

3-bromo-1,2,4-benzotriazine

Structural Information

Molecular Formula
C7H4BrN3
SMILES
C1=CC=C2C(=C1)N=C(N=N2)Br
InChI
InChI=1S/C7H4BrN3/c8-7-9-5-3-1-2-4-6(5)10-11-7/h1-4H
InChIKey
MUQCLSWXWQFVTB-UHFFFAOYSA-N
Compound name
3-bromo-1,2,4-benzotriazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

208.95886 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.96614 133.7
[M+Na]+ 231.94808 139.7
[M+NH4]+ 226.99268 139.1
[M+K]+ 247.92202 138.7
[M-H]- 207.95158 134.2
[M+Na-2H]- 229.93353 139.3
[M]+ 208.95831 133.6
[M]- 208.95941 133.6
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

patents stripe