CID 63382345

4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]benzoic acid

Structural Information

Molecular Formula
C10H6F2N2O3
SMILES
C1=CC(=CC=C1C2=NN=C(O2)C(F)F)C(=O)O
InChI
InChI=1S/C10H6F2N2O3/c11-7(12)9-14-13-8(17-9)5-1-3-6(4-2-5)10(15)16/h1-4,7H,(H,15,16)
InChIKey
UHNMCIOSDWSVKX-UHFFFAOYSA-N
Compound name
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

240.03465 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.04193 145.8
[M+Na]+ 263.02387 155.1
[M-H]- 239.02737 147.4
[M+NH4]+ 258.06847 160.1
[M+K]+ 278.99781 153.2
[M+H-H2O]+ 223.03191 136.4
[M+HCOO]- 285.03285 163.9
[M+CH3COO]- 299.04850 187.5
[M+Na-2H]- 261.00932 148.7
[M]+ 240.03410 145.0
[M]- 240.03520 145.0
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