CID 24728102

5-bromo-1-methoxy-2-methyl-3-nitrobenzene

Structural Information

Molecular Formula
C8H8BrNO3
SMILES
CC1=C(C=C(C=C1OC)Br)[N+](=O)[O-]
InChI
InChI=1S/C8H8BrNO3/c1-5-7(10(11)12)3-6(9)4-8(5)13-2/h3-4H,1-2H3
InChIKey
XTZNLELDRXUAOX-UHFFFAOYSA-N
Compound name
5-bromo-1-methoxy-2-methyl-3-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

244.96877 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.97605 144.9
[M+Na]+ 267.95799 149.3
[M+NH4]+ 263.00259 149.6
[M+K]+ 283.93193 151.6
[M-H]- 243.96149 146.5
[M+Na-2H]- 265.94344 147.9
[M]+ 244.96822 144.8
[M]- 244.96932 144.8
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