CID 57442206

530081-35-7

Structural Information

Molecular Formula
C7H4BrFN4
SMILES
C1=CC(=C(C=C1Br)F)C2=NNN=N2
InChI
InChI=1S/C7H4BrFN4/c8-4-1-2-5(6(9)3-4)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)
InChIKey
CPNRPKDPUSJSTG-UHFFFAOYSA-N
Compound name
5-(4-bromo-2-fluorophenyl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

241.96034 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.967616 138.9
[M+Na]+ 264.949558 153.1
[M-H]- 240.953064 141.6
[M+NH4]+ 259.994163 156.3
[M+K]+ 280.923498 140.9
[M+H-H2O]+ 224.957600 136.5
[M+HCOO]- 286.958541 156.7
[M+CH3COO]- 300.974191 153.3
[M+Na-2H]- 262.935006 146.7
[M]+ 241.95979142 155.3
[M]- 241.96088858 155.3
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