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]+ 211.981776 134.7
[M+Na]+ 233.963718 146.4
[M-H]- 209.967224 143.9
[M+NH4]+ 229.008323 157.3
[M+K]+ 249.937658 131.5
[M+H-H2O]+ 193.971760 137.6
[M+HCOO]- 255.972701 163.5
[M+CH3COO]- 269.988351 187.9
[M+Na-2H]- 231.949166 146.3
[M]+ 210.97395142 151.9
[M]- 210.97504858 151.9
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.