CID 596275

5-(2-fluorophenyl)-1h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C7H5FN4
SMILES
C1=CC=C(C(=C1)C2=NNN=N2)F
InChI
InChI=1S/C7H5FN4/c8-6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
InChIKey
ZRFGTMYIGSTCSZ-UHFFFAOYSA-N
Compound name
5-(2-fluorophenyl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

164.04982 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.05710 130.0
[M+Na]+ 187.03904 140.3
[M-H]- 163.04254 129.3
[M+NH4]+ 182.08364 146.2
[M+K]+ 203.01298 136.2
[M+H-H2O]+ 147.04708 120.1
[M+HCOO]- 209.04802 149.6
[M+CH3COO]- 223.06367 142.6
[M+Na-2H]- 185.02449 137.3
[M]+ 164.04927 127.0
[M]- 164.05037 127.0
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