CID 248990

Trans-4-nitrostilbene oxide

Structural Information

Molecular Formula
C14H11NO3
SMILES
C1=CC=C(C=C1)[C@H]2[C@@H](O2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H11NO3/c16-15(17)12-8-6-11(7-9-12)14-13(18-14)10-4-2-1-3-5-10/h1-9,13-14H/t13-,14-/m0/s1
InChIKey
YUZKNYLREGXARL-KBPBESRZSA-N
Compound name
(2S,3S)-2-(4-nitrophenyl)-3-phenyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

241.0739 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08118 144.8
[M+Na]+ 264.06312 153.5
[M-H]- 240.06662 156.1
[M+NH4]+ 259.10772 155.4
[M+K]+ 280.03706 147.3
[M+H-H2O]+ 224.07116 141.5
[M+HCOO]- 286.07210 170.0
[M+CH3COO]- 300.08775 189.7
[M+Na-2H]- 262.04857 154.0
[M]+ 241.07335 146.5
[M]- 241.07445 146.5
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