CID 36250

Chlomethoxyfen

Structural Information

Molecular Formula
C13H9Cl2NO4
SMILES
COC1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C13H9Cl2NO4/c1-19-13-7-9(3-4-11(13)16(17)18)20-12-5-2-8(14)6-10(12)15/h2-7H,1H3
InChIKey
DXXVCXKMSWHGTF-UHFFFAOYSA-N
Compound name
4-(2,4-dichlorophenoxy)-2-methoxy-1-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

12857
Patents

312.99088 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.99816 162.7
[M+Na]+ 335.98010 180.0
[M+NH4]+ 331.02470 171.4
[M+K]+ 351.95404 174.1
[M-H]- 311.98360 168.2
[M+Na-2H]- 333.96555 171.5
[M]+ 312.99033 167.5
[M]- 312.99143 167.5
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

patents stripe