CID 21069825

2-azido-1-bromo-4-fluorobenzene

Structural Information

Molecular Formula
C6H3BrFN3
SMILES
C1=CC(=C(C=C1F)N=[N+]=[N-])Br
InChI
InChI=1S/C6H3BrFN3/c7-5-2-1-4(8)3-6(5)10-11-9/h1-3H
InChIKey
IGDQOIBCFYWRBZ-UHFFFAOYSA-N
Compound name
2-azido-1-bromo-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

214.94943 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.95671 133.4
[M+Na]+ 237.93865 145.5
[M-H]- 213.94215 141.3
[M+NH4]+ 232.98325 155.7
[M+K]+ 253.91259 130.4
[M+H-H2O]+ 197.94669 135.5
[M+HCOO]- 259.94763 161.5
[M+CH3COO]- 273.96328 187.6
[M+Na-2H]- 235.92410 144.8
[M]+ 214.94888 149.1
[M]- 214.94998 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

patents stripe