CID 83681314

1519248-16-8

Structural Information

Molecular Formula
C7H6BrN3
SMILES
CN1C2=C(C=CC=C2Br)N=N1
InChI
InChI=1S/C7H6BrN3/c1-11-7-5(8)3-2-4-6(7)9-10-11/h2-4H,1H3
InChIKey
QGYADPTXUAHPQF-UHFFFAOYSA-N
Compound name
7-bromo-1-methylbenzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

210.9745 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.98178 138.5
[M+Na]+ 233.96372 143.8
[M+NH4]+ 229.00832 143.6
[M+K]+ 249.93766 144.6
[M-H]- 209.96722 138.3
[M+Na-2H]- 231.94917 142.5
[M]+ 210.97395 138.0
[M]- 210.97505 138.0
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