CID 89750

4-chloro-1-(2-chlorophenoxy)-2-nitrobenzene

Structural Information

Molecular Formula
C12H7Cl2NO3
SMILES
C1=CC=C(C(=C1)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C12H7Cl2NO3/c13-8-5-6-12(10(7-8)15(16)17)18-11-4-2-1-3-9(11)14/h1-7H
InChIKey
AXWRVQCZOCJLFC-UHFFFAOYSA-N
Compound name
4-chloro-1-(2-chlorophenoxy)-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

282.9803 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.987576 158.2
[M+Na]+ 305.969518 167.2
[M-H]- 281.973024 164.2
[M+NH4]+ 301.014123 174.4
[M+K]+ 321.943458 158.2
[M+H-H2O]+ 265.977560 157.3
[M+HCOO]- 327.978501 174.5
[M+CH3COO]- 341.994151 191.3
[M+Na-2H]- 303.954966 164.3
[M]+ 282.97975142 161.5
[M]- 282.98084858 161.5
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