CID 11816667

1-azido-4-(bromomethyl)benzene

Structural Information

Molecular Formula
C7H6BrN3
SMILES
C1=CC(=CC=C1CBr)N=[N+]=[N-]
InChI
InChI=1S/C7H6BrN3/c8-5-6-1-3-7(4-2-6)10-11-9/h1-4H,5H2
InChIKey
ZEGXJLLXAKNJOU-UHFFFAOYSA-N
Compound name
1-azido-4-(bromomethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

210.9745 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.98178 134.9
[M+Na]+ 233.96372 145.7
[M-H]- 209.96722 143.7
[M+NH4]+ 229.00832 157.2
[M+K]+ 249.93766 130.9
[M+H-H2O]+ 193.97176 137.6
[M+HCOO]- 255.97270 163.7
[M+CH3COO]- 269.98835 186.9
[M+Na-2H]- 231.94917 147.1
[M]+ 210.97395 151.7
[M]- 210.97505 151.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe