CID 135528298

14213-07-1

Structural Information

Molecular Formula
C7H5FN4O
SMILES
C1=CC(=CC=C1N2C(=O)NN=N2)F
InChI
InChI=1S/C7H5FN4O/c8-5-1-3-6(4-2-5)12-7(13)9-10-11-12/h1-4H,(H,9,11,13)
InChIKey
KHGLEGNLDJXZOK-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-1H-tetrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

180.04474 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.05202 133.1
[M+Na]+ 203.03396 144.5
[M-H]- 179.03746 132.8
[M+NH4]+ 198.07856 148.8
[M+K]+ 219.00790 140.2
[M+H-H2O]+ 163.04200 123.4
[M+HCOO]- 225.04294 153.0
[M+CH3COO]- 239.05859 145.9
[M+Na-2H]- 201.01941 139.5
[M]+ 180.04419 131.1
[M]- 180.04529 131.1
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