CID 579001

Cambridge id 6250901

Structural Information

Molecular Formula
C9H7FN4O2
SMILES
C1=CC=C(C(=C1)C2=NN(N=N2)CC(=O)O)F
InChI
InChI=1S/C9H7FN4O2/c10-7-4-2-1-3-6(7)9-11-13-14(12-9)5-8(15)16/h1-4H,5H2,(H,15,16)
InChIKey
LFHIZTMVCWOYBL-UHFFFAOYSA-N
Compound name
2-[5-(2-fluorophenyl)tetrazol-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

222.0553 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06258 144.4
[M+Na]+ 245.04452 154.5
[M-H]- 221.04802 144.0
[M+NH4]+ 240.08912 158.2
[M+K]+ 261.01846 150.8
[M+H-H2O]+ 205.05256 134.4
[M+HCOO]- 267.05350 162.9
[M+CH3COO]- 281.06915 184.6
[M+Na-2H]- 243.02997 148.7
[M]+ 222.05475 143.9
[M]- 222.05585 143.9
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

No patent data available for this compound.