CID 11507097

160514-13-6

Structural Information

Molecular Formula
C14H12N4O
SMILES
C1=CC=C(C(=C1)C2=CC=C(C=C2)CO)C3=NNN=N3
InChI
InChI=1S/C14H12N4O/c19-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)14-15-17-18-16-14/h1-8,19H,9H2,(H,15,16,17,18)
InChIKey
ZRQJTHPAIULYJV-UHFFFAOYSA-N
Compound name
[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

252.1011 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10838 157.8
[M+Na]+ 275.09032 172.9
[M+NH4]+ 270.13492 164.6
[M+K]+ 291.06426 167.6
[M-H]- 251.09382 160.9
[M+Na-2H]- 273.07577 167.7
[M]+ 252.10055 160.7
[M]- 252.10165 160.7
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