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

169
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 131.9
[M+Na]+ 227.98342 146.2
[M+NH4]+ 223.02802 140.1
[M+K]+ 243.95736 142.6
[M-H]- 203.98692 133.9
[M+Na-2H]- 225.96887 138.4
[M]+ 204.99365 134.6
[M]- 204.99475 134.6
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