CID 6470990

3-fluoro-n-[3-(1h-tetrazol-5-yl)phenyl]benzamide

Structural Information

Molecular Formula
C14H10FN5O
SMILES
C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)F)C3=NNN=N3
InChI
InChI=1S/C14H10FN5O/c15-11-5-1-4-10(7-11)14(21)16-12-6-2-3-9(8-12)13-17-19-20-18-13/h1-8H,(H,16,21)(H,17,18,19,20)
InChIKey
GAKOBKPDJJGRIL-UHFFFAOYSA-N
Compound name
3-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

283.08694 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.094216 161.2
[M+Na]+ 306.076158 169.6
[M-H]- 282.079664 163.8
[M+NH4]+ 301.120763 171.7
[M+K]+ 322.050098 163.2
[M+H-H2O]+ 266.084200 149.4
[M+HCOO]- 328.085141 180.2
[M+CH3COO]- 342.100791 171.3
[M+Na-2H]- 304.061606 166.1
[M]+ 283.08639142 157.8
[M]- 283.08748858 157.8
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