CID 11148540

1-azido-2-(bromomethyl)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

210.9745 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.981776 134.9
[M+Na]+ 233.963718 145.7
[M-H]- 209.967224 143.7
[M+NH4]+ 229.008323 157.2
[M+K]+ 249.937658 130.9
[M+H-H2O]+ 193.971760 137.6
[M+HCOO]- 255.972701 163.7
[M+CH3COO]- 269.988351 186.9
[M+Na-2H]- 231.949166 147.1
[M]+ 210.97395142 151.7
[M]- 210.97504858 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