CID 67050019

2-fluoro-4-(1h-tetrazol-5-yl)benzoic acid

Structural Information

Molecular Formula
C8H5FN4O2
SMILES
C1=CC(=C(C=C1C2=NNN=N2)F)C(=O)O
InChI
InChI=1S/C8H5FN4O2/c9-6-3-4(7-10-12-13-11-7)1-2-5(6)8(14)15/h1-3H,(H,14,15)(H,10,11,12,13)
InChIKey
WZADURDEXDTRDQ-UHFFFAOYSA-N
Compound name
2-fluoro-4-(2H-tetrazol-5-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

208.03966 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04694 140.6
[M+Na]+ 231.02888 150.7
[M-H]- 207.03238 139.1
[M+NH4]+ 226.07348 154.3
[M+K]+ 247.00282 146.4
[M+H-H2O]+ 191.03692 131.1
[M+HCOO]- 253.03786 158.0
[M+CH3COO]- 267.05351 179.2
[M+Na-2H]- 229.01433 145.0
[M]+ 208.03911 137.9
[M]- 208.04021 137.9
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

patents stripe