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

195
Patents

204.9942 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.001476 134.8
[M+Na]+ 227.983418 145.1
[M-H]- 203.986924 137.8
[M+NH4]+ 223.028023 154.4
[M+K]+ 243.957358 138.3
[M+H-H2O]+ 187.991460 134.4
[M+HCOO]- 249.992401 155.8
[M+CH3COO]- 264.008051 178.6
[M+Na-2H]- 225.968866 141.7
[M]+ 204.99365142 136.4
[M]- 204.99474858 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