CID 19388302

164265-78-5

Structural Information

Molecular Formula
C14H10N4O2
SMILES
C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)O)C3=NNN=N3
InChI
InChI=1S/C14H10N4O2/c19-14(20)10-7-5-9(6-8-10)11-3-1-2-4-12(11)13-15-17-18-16-13/h1-8H,(H,19,20)(H,15,16,17,18)
InChIKey
USAWIVMZUYOXCF-UHFFFAOYSA-N
Compound name
4-[2-(2H-tetrazol-5-yl)phenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

49
Patents

266.08038 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.08766 158.8
[M+Na]+ 289.06960 167.3
[M-H]- 265.07310 161.4
[M+NH4]+ 284.11420 169.5
[M+K]+ 305.04354 161.3
[M+H-H2O]+ 249.07764 148.5
[M+HCOO]- 311.07858 176.4
[M+CH3COO]- 325.09423 169.2
[M+Na-2H]- 287.05505 163.0
[M]+ 266.07983 156.6
[M]- 266.08093 156.6
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

No patent data available for this compound.