CID 11507097

(2'-(1h-tetrazol-5-yl)biphenyl-4-yl)methanol

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

59
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 156.6
[M+Na]+ 275.09032 165.4
[M-H]- 251.09382 158.9
[M+NH4]+ 270.13492 168.1
[M+K]+ 291.06426 158.8
[M+H-H2O]+ 235.09836 146.2
[M+HCOO]- 297.09930 174.8
[M+CH3COO]- 311.11495 167.1
[M+Na-2H]- 273.07577 161.9
[M]+ 252.10055 154.3
[M]- 252.10165 154.3
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