CID 92603

2-chloro-4-nitro-1-phenoxybenzene

Structural Information

Molecular Formula
C12H8ClNO3
SMILES
C1=CC=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C12H8ClNO3/c13-11-8-9(14(15)16)6-7-12(11)17-10-4-2-1-3-5-10/h1-8H
InChIKey
ZIDYALDTDUSPFJ-UHFFFAOYSA-N
Compound name
2-chloro-4-nitro-1-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

249.01927 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.026546 151.4
[M+Na]+ 272.008488 159.5
[M-H]- 248.011994 158.1
[M+NH4]+ 267.053093 168.3
[M+K]+ 287.982428 151.4
[M+H-H2O]+ 232.016530 149.5
[M+HCOO]- 294.017471 173.0
[M+CH3COO]- 308.033121 185.6
[M+Na-2H]- 269.993936 159.1
[M]+ 249.01872142 153.0
[M]- 249.01981858 153.0
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