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 134.7
[M+Na]+ 233.96372 146.4
[M-H]- 209.96722 143.9
[M+NH4]+ 229.00832 157.3
[M+K]+ 249.93766 131.5
[M+H-H2O]+ 193.97176 137.6
[M+HCOO]- 255.97270 163.5
[M+CH3COO]- 269.98835 187.9
[M+Na-2H]- 231.94917 146.3
[M]+ 210.97395 151.9
[M]- 210.97505 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.