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

31
Patents

241.96034 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.96762 138.9
[M+Na]+ 264.94956 153.1
[M-H]- 240.95306 141.6
[M+NH4]+ 259.99416 156.3
[M+K]+ 280.92350 140.9
[M+H-H2O]+ 224.95760 136.5
[M+HCOO]- 286.95854 156.7
[M+CH3COO]- 300.97419 153.3
[M+Na-2H]- 262.93501 146.7
[M]+ 241.95979 155.3
[M]- 241.96089 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