CID 65435236

4-azido-1-bromo-2-fluorobenzene

Structural Information

Molecular Formula
C6H3BrFN3
SMILES
C1=CC(=C(C=C1N=[N+]=[N-])F)Br
InChI
InChI=1S/C6H3BrFN3/c7-5-2-1-4(10-11-9)3-6(5)8/h1-3H
InChIKey
ITQFFTWQOVFGPB-UHFFFAOYSA-N
Compound name
4-azido-1-bromo-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.94943 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.956706 133.4
[M+Na]+ 237.938648 145.5
[M-H]- 213.942154 141.3
[M+NH4]+ 232.983253 155.7
[M+K]+ 253.912588 130.4
[M+H-H2O]+ 197.946690 135.5
[M+HCOO]- 259.947631 161.5
[M+CH3COO]- 273.963281 187.6
[M+Na-2H]- 235.924096 144.8
[M]+ 214.94888142 149.1
[M]- 214.94997858 149.1
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.