CID 248989

Trans-4-methoxy-4'-nitrostilbene oxide

Structural Information

Molecular Formula
C15H13NO4
SMILES
COC1=CC=C(C=C1)[C@H]2[C@@H](O2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H13NO4/c1-19-13-8-4-11(5-9-13)15-14(20-15)10-2-6-12(7-3-10)16(17)18/h2-9,14-15H,1H3/t14-,15-/m0/s1
InChIKey
CTPLJPLKYKCNAY-GJZGRUSLSA-N
Compound name
(2S,3S)-2-(4-methoxyphenyl)-3-(4-nitrophenyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.08447 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09175 153.1
[M+Na]+ 294.07369 162.1
[M-H]- 270.07719 164.6
[M+NH4]+ 289.11829 162.8
[M+K]+ 310.04763 156.0
[M+H-H2O]+ 254.08173 149.6
[M+HCOO]- 316.08267 178.1
[M+CH3COO]- 330.09832 195.7
[M+Na-2H]- 292.05914 161.2
[M]+ 271.08392 156.9
[M]- 271.08502 156.9
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.