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

95
Patents

244.96877 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.97605 144.7
[M+Na]+ 267.95799 155.2
[M-H]- 243.96149 151.0
[M+NH4]+ 263.00259 164.9
[M+K]+ 283.93193 141.3
[M+H-H2O]+ 227.96603 148.5
[M+HCOO]- 289.96697 168.2
[M+CH3COO]- 303.98262 183.4
[M+Na-2H]- 265.94344 154.0
[M]+ 244.96822 164.1
[M]- 244.96932 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