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

280
Patents

247.06447 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.07175 151.3
[M+Na]+ 270.05369 158.6
[M-H]- 246.05719 157.0
[M+NH4]+ 265.09829 167.5
[M+K]+ 286.02763 151.4
[M+H-H2O]+ 230.06173 147.4
[M+HCOO]- 292.06267 176.2
[M+CH3COO]- 306.07832 187.6
[M+Na-2H]- 268.03914 158.7
[M]+ 247.06392 150.0
[M]- 247.06502 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