CID 285015

2-(4-nitrophenyl)-1-phenylethanol

Structural Information

Molecular Formula
C14H13NO3
SMILES
C1=CC=C(C=C1)C(CC2=CC=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C14H13NO3/c16-14(12-4-2-1-3-5-12)10-11-6-8-13(9-7-11)15(17)18/h1-9,14,16H,10H2
InChIKey
MEWODLZYZUQZST-UHFFFAOYSA-N
Compound name
2-(4-nitrophenyl)-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.08954 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.09682 153.2
[M+Na]+ 266.07876 158.3
[M-H]- 242.08226 158.4
[M+NH4]+ 261.12336 168.5
[M+K]+ 282.05270 150.9
[M+H-H2O]+ 226.08680 150.3
[M+HCOO]- 288.08774 176.3
[M+CH3COO]- 302.10339 184.7
[M+Na-2H]- 264.06421 159.7
[M]+ 243.08899 150.4
[M]- 243.09009 150.4
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

No patent data available for this compound.