CID 3022048

Brn 4720568

Structural Information

Molecular Formula
C14H9F3N4O3
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)C3=NN=NN3CC(=O)O
InChI
InChI=1S/C14H9F3N4O3/c15-14(16,17)9-3-1-2-8(6-9)10-4-5-11(24-10)13-18-19-20-21(13)7-12(22)23/h1-6H,7H2,(H,22,23)
InChIKey
NTUFPIIVVDBDAK-UHFFFAOYSA-N
Compound name
2-[5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]tetrazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.06268 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.06996 168.6
[M+Na]+ 361.05190 179.7
[M-H]- 337.05540 170.8
[M+NH4]+ 356.09650 178.1
[M+K]+ 377.02584 175.8
[M+H-H2O]+ 321.05994 157.1
[M+HCOO]- 383.06088 184.5
[M+CH3COO]- 397.07653 203.9
[M+Na-2H]- 359.03735 170.4
[M]+ 338.06213 169.3
[M]- 338.06323 169.3
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