CID 2764587

1-(2-chloroethoxy)-4-nitrobenzene

Structural Information

Molecular Formula
C8H8ClNO3
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OCCCl
InChI
InChI=1S/C8H8ClNO3/c9-5-6-13-8-3-1-7(2-4-8)10(11)12/h1-4H,5-6H2
InChIKey
OBCFOPGCTNULTG-UHFFFAOYSA-N
Compound name
1-(2-chloroethoxy)-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

224
Patents

201.01927 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.026546 139.2
[M+Na]+ 224.008488 147.2
[M-H]- 200.011994 142.7
[M+NH4]+ 219.053093 158.4
[M+K]+ 239.982428 140.5
[M+H-H2O]+ 184.016530 139.0
[M+HCOO]- 246.017471 160.9
[M+CH3COO]- 260.033121 176.7
[M+Na-2H]- 221.993936 147.3
[M]+ 201.01872142 141.5
[M]- 201.01981858 141.5
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