CID 22180704

4-benzyloxy-2-fluoro-1-nitrobenzene

Structural Information

Molecular Formula
C13H10FNO3
SMILES
C1=CC=C(C=C1)COC2=CC(=C(C=C2)[N+](=O)[O-])F
InChI
InChI=1S/C13H10FNO3/c14-12-8-11(6-7-13(12)15(16)17)18-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKey
JUGGVCLJDPHFQC-UHFFFAOYSA-N
Compound name
2-fluoro-1-nitro-4-phenylmethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

283
Patents

247.06447 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.071746 151.3
[M+Na]+ 270.053688 158.6
[M-H]- 246.057194 157.0
[M+NH4]+ 265.098293 167.5
[M+K]+ 286.027628 151.4
[M+H-H2O]+ 230.061730 147.4
[M+HCOO]- 292.062671 176.2
[M+CH3COO]- 306.078321 187.6
[M+Na-2H]- 268.039136 158.7
[M]+ 247.06392142 150.0
[M]- 247.06501858 150.0
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

patents stripe