CID 322241

4-bromo-1-methoxy-2-(2-nitroethenyl)benzene

Structural Information

Molecular Formula
C9H8BrNO3
SMILES
COC1=C(C=C(C=C1)Br)C=C[N+](=O)[O-]
InChI
InChI=1S/C9H8BrNO3/c1-14-9-3-2-8(10)6-7(9)4-5-11(12)13/h2-6H,1H3
InChIKey
IAHCHTBHTXVKTC-UHFFFAOYSA-N
Compound name
4-bromo-1-methoxy-2-(2-nitroethenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

256.96875 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.97603 147.5
[M+Na]+ 279.95797 158.8
[M-H]- 255.96147 154.1
[M+NH4]+ 275.00257 167.6
[M+K]+ 295.93191 144.1
[M+H-H2O]+ 239.96601 151.3
[M+HCOO]- 301.96695 170.8
[M+CH3COO]- 315.98260 185.7
[M+Na-2H]- 277.94342 155.7
[M]+ 256.96820 166.8
[M]- 256.96930 166.8
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