CID 310007

1-(2-bromoethoxy)-2-nitrobenzene

Structural Information

Molecular Formula
C8H8BrNO3
SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])OCCBr
InChI
InChI=1S/C8H8BrNO3/c9-5-6-13-8-4-2-1-3-7(8)10(11)12/h1-4H,5-6H2
InChIKey
AHOFWSHLRKOJBS-UHFFFAOYSA-N
Compound name
1-(2-bromoethoxy)-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

244.96877 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.976046 144.7
[M+Na]+ 267.957988 155.2
[M-H]- 243.961494 151.0
[M+NH4]+ 263.002593 164.9
[M+K]+ 283.931928 141.3
[M+H-H2O]+ 227.966030 148.5
[M+HCOO]- 289.966971 168.2
[M+CH3COO]- 303.982621 183.4
[M+Na-2H]- 265.943436 154.0
[M]+ 244.96822142 164.1
[M]- 244.96931858 164.1
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