CID 64770352

1-(bromomethyl)-4-fluoro-5-methoxy-2-nitrobenzene

Structural Information

Molecular Formula
C8H7BrFNO3
SMILES
COC1=C(C=C(C(=C1)CBr)[N+](=O)[O-])F
InChI
InChI=1S/C8H7BrFNO3/c1-14-8-2-5(4-9)7(11(12)13)3-6(8)10/h2-3H,4H2,1H3
InChIKey
RAIJKLKGBPHDIV-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-fluoro-5-methoxy-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.95932 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.96660 146.8
[M+Na]+ 285.94854 159.0
[M-H]- 261.95204 152.5
[M+NH4]+ 280.99314 166.9
[M+K]+ 301.92248 144.7
[M+H-H2O]+ 245.95658 150.0
[M+HCOO]- 307.95752 169.3
[M+CH3COO]- 321.97317 188.0
[M+Na-2H]- 283.93399 154.3
[M]+ 262.95877 165.8
[M]- 262.95987 165.8
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

No patent data available for this compound.