CID 43806650

2-azido-4-bromo-1-methylbenzene

Structural Information

Molecular Formula
C7H6BrN3
SMILES
CC1=C(C=C(C=C1)Br)N=[N+]=[N-]
InChI
InChI=1S/C7H6BrN3/c1-5-2-3-6(8)4-7(5)10-11-9/h2-4H,1H3
InChIKey
JISMHGZWROBDKC-UHFFFAOYSA-N
Compound name
2-azido-4-bromo-1-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.9745 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.98178 138.8
[M+Na]+ 233.96372 143.5
[M+NH4]+ 229.00832 144.8
[M+K]+ 249.93766 143.8
[M-H]- 209.96722 143.1
[M+Na-2H]- 231.94917 144.2
[M]+ 210.97395 139.5
[M]- 210.97505 139.5
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

No patent data available for this compound.