CID 1494563

40276-09-3

Structural Information

Molecular Formula
C15H13NO3
SMILES
C1=CC=C(C=C1)COC2=CC=CC=C2/C=C/[N+](=O)[O-]
InChI
InChI=1S/C15H13NO3/c17-16(18)11-10-14-8-4-5-9-15(14)19-12-13-6-2-1-3-7-13/h1-11H,12H2/b11-10+
InChIKey
SQPQKZLZYZFJBK-ZHACJKMWSA-N
Compound name
1-[(E)-2-nitroethenyl]-2-phenylmethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

255.08954 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.096816 157.9
[M+Na]+ 278.078758 163.7
[M-H]- 254.082264 164.3
[M+NH4]+ 273.123363 173.5
[M+K]+ 294.052698 155.9
[M+H-H2O]+ 238.086800 154.5
[M+HCOO]- 300.087741 183.4
[M+CH3COO]- 314.103391 188.2
[M+Na-2H]- 276.064206 165.3
[M]+ 255.08899142 157.2
[M]- 255.09008858 157.2
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