CID 89751

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

Structural Information

Molecular Formula
C12H7Cl2NO3
SMILES
C1=CC(=CC=C1OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)Cl
InChI
InChI=1S/C12H7Cl2NO3/c13-8-1-4-10(5-2-8)18-12-6-3-9(15(16)17)7-11(12)14/h1-7H
InChIKey
RTCVXHVOOYCYNA-UHFFFAOYSA-N
Compound name
2-chloro-1-(4-chlorophenoxy)-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

282.9803 Da
Monoisotopic Mass

4.6
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

literature stripe

Patent stripe

patents stripe