CID 12423126

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

Structural Information

Molecular Formula
C8H8BrNO3
SMILES
COC1=CC(=C(C=C1)[N+](=O)[O-])CBr
InChI
InChI=1S/C8H8BrNO3/c1-13-7-2-3-8(10(11)12)6(4-7)5-9/h2-4H,5H2,1H3
InChIKey
BXVAGOCCUQNTFR-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-4-methoxy-1-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

244.96877 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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

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