CID 7059269

2-chloro-1-[(3-fluorophenyl)methoxy]-4-nitrobenzene

Structural Information

Molecular Formula
C13H9ClFNO3
SMILES
C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C13H9ClFNO3/c14-12-7-11(16(17)18)4-5-13(12)19-8-9-2-1-3-10(15)6-9/h1-7H,8H2
InChIKey
SFTHVDYRPHJAND-UHFFFAOYSA-N
Compound name
2-chloro-1-[(3-fluorophenyl)methoxy]-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

183
Patents

281.0255 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.03278 158.1
[M+Na]+ 304.01472 166.8
[M-H]- 280.01822 163.6
[M+NH4]+ 299.05932 174.0
[M+K]+ 319.98866 158.0
[M+H-H2O]+ 264.02276 155.3
[M+HCOO]- 326.02370 178.4
[M+CH3COO]- 340.03935 192.4
[M+Na-2H]- 302.00017 164.1
[M]+ 281.02495 159.5
[M]- 281.02605 159.5
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.