CID 2779295

1-chloro-5-fluoro-2-methoxy-4-nitrobenzene

Structural Information

Molecular Formula
C7H5ClFNO3
SMILES
COC1=C(C=C(C(=C1)[N+](=O)[O-])F)Cl
InChI
InChI=1S/C7H5ClFNO3/c1-13-7-3-6(10(11)12)5(9)2-4(7)8/h2-3H,1H3
InChIKey
CRONHBXGPYQWHX-UHFFFAOYSA-N
Compound name
1-chloro-5-fluoro-2-methoxy-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

175
Patents

204.9942 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.00148 134.8
[M+Na]+ 227.98342 145.1
[M-H]- 203.98692 137.8
[M+NH4]+ 223.02802 154.4
[M+K]+ 243.95736 138.3
[M+H-H2O]+ 187.99146 134.4
[M+HCOO]- 249.99240 155.8
[M+CH3COO]- 264.00805 178.6
[M+Na-2H]- 225.96887 141.7
[M]+ 204.99365 136.4
[M]- 204.99475 136.4
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