CID 11218814

1-(bromomethyl)-2-methoxy-4-nitrobenzene

Structural Information

Molecular Formula

C₈H₈BrNO₃

SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])CBr

InChI

InChI=1S/C8H8BrNO3/c1-13-8-4-7(10(11)12)3-2-6(8)5-9/h2-4H,5H2,1H3

InChIKey

AQTWRBIMELKBOF-UHFFFAOYSA-N

Compound name

1-(bromomethyl)-2-methoxy-4-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 244.96877 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	245.97605	145.3
[M+Na]+	267.95799	149.4
[M+NH4]+	263.00259	150.0
[M+K]+	283.93193	151.5
[M-H]-	243.96149	146.9
[M+Na-2H]-	265.94344	148.5
[M]+	244.96822	145.1
[M]-	244.96932	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe