CID 102614

1428-67-7

Structural Information

Molecular Formula
C15H13NO2
SMILES
C1=CC(=CC=C1CC(C#N)C2=CC=C(C=C2)O)O
InChI
InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2
InChIKey
GHZHWDWADLAOIQ-UHFFFAOYSA-N
Compound name
2,3-bis(4-hydroxyphenyl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

356
References

209
Patents

239.09464 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.101916 159.2
[M+Na]+ 262.083858 168.5
[M-H]- 238.087364 162.3
[M+NH4]+ 257.128463 173.5
[M+K]+ 278.057798 162.4
[M+H-H2O]+ 222.091900 146.0
[M+HCOO]- 284.092841 176.2
[M+CH3COO]- 298.108491 199.8
[M+Na-2H]- 260.069306 162.3
[M]+ 239.09409142 152.7
[M]- 239.09518858 152.7
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