CID 235987

1-(2-bromoethoxy)-4-nitrobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

328
Patents

244.96877 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.97605 145.7
[M+Na]+ 267.95799 149.5
[M+NH4]+ 263.00259 150.4
[M+K]+ 283.93193 151.4
[M-H]- 243.96149 147.3
[M+Na-2H]- 265.94344 149.1
[M]+ 244.96822 145.4
[M]- 244.96932 145.4
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