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

180
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

literature stripe

Patent stripe

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