CID 92389

Aclonifen

Structural Information

Molecular Formula
C12H9ClN2O3
SMILES
C1=CC=C(C=C1)OC2=C(C(=C(C=C2)[N+](=O)[O-])N)Cl
InChI
InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2
InChIKey
DDBMQDADIHOWIC-UHFFFAOYSA-N
Compound name
2-chloro-6-nitro-3-phenoxyaniline
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

16
References

22535
Patents

264.03018 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.03746 155.1
[M+Na]+ 287.01940 163.2
[M-H]- 263.02290 161.6
[M+NH4]+ 282.06400 171.1
[M+K]+ 302.99334 154.7
[M+H-H2O]+ 247.02744 153.2
[M+HCOO]- 309.02838 177.1
[M+CH3COO]- 323.04403 190.8
[M+Na-2H]- 285.00485 161.7
[M]+ 264.02963 155.5
[M]- 264.03073 155.5
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