CID 24846472

89568-30-9

Structural Information

Molecular Formula
C20H14ClN4O2
SMILES
C1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4O
InChI
InChI=1S/C20H13ClN4O2/c21-15-10-12-16(13-11-15)24-22-19(14-6-2-1-3-7-14)23-25(24)20(27)17-8-4-5-9-18(17)26/h1-13H/p+1
InChIKey
NMIQMXCOQJTCDD-UHFFFAOYSA-O
Compound name
[3-(4-chlorophenyl)-5-phenyltetrazol-3-ium-2-yl]-(2-hydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.08054 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.08782 190.1
[M+Na]+ 400.06976 199.2
[M-H]- 376.07326 197.1
[M+NH4]+ 395.11436 197.3
[M+K]+ 416.04370 185.7
[M+H-H2O]+ 360.07780 180.4
[M+HCOO]- 422.07874 202.8
[M+CH3COO]- 436.09439 205.4
[M+Na-2H]- 398.05521 194.1
[M]+ 377.07999 190.5
[M]- 377.08109 190.5
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.