CID 1237170

(r)-2-(4-nitrophenyl)oxirane

Structural Information

Molecular Formula
C8H7NO3
SMILES
C1[C@H](O1)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C8H7NO3/c10-9(11)7-3-1-6(2-4-7)8-5-12-8/h1-4,8H,5H2/t8-/m0/s1
InChIKey
YKIUTLHCSNCTDZ-QMMMGPOBSA-N
Compound name
(2R)-2-(4-nitrophenyl)oxirane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

16
References

291
Patents

165.04259 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.049866 125.8
[M+Na]+ 188.031808 135.4
[M-H]- 164.035314 134.6
[M+NH4]+ 183.076413 139.8
[M+K]+ 204.005748 130.6
[M+H-H2O]+ 148.039850 124.0
[M+HCOO]- 210.040791 151.6
[M+CH3COO]- 224.056441 175.2
[M+Na-2H]- 186.017256 136.5
[M]+ 165.04204142 127.8
[M]- 165.04313858 127.8
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.