CID 119001893

1-bromo-2-(bromomethyl)-5-fluoro-3-nitrobenzene

Structural Information

Molecular Formula
C7H4Br2FNO2
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])CBr)Br)F
InChI
InChI=1S/C7H4Br2FNO2/c8-3-5-6(9)1-4(10)2-7(5)11(12)13/h1-2H,3H2
InChIKey
HTMQQHDHWBLMKU-UHFFFAOYSA-N
Compound name
1-bromo-2-(bromomethyl)-5-fluoro-3-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.85928 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.86656 148.3
[M+Na]+ 333.84850 159.7
[M-H]- 309.85200 154.5
[M+NH4]+ 328.89310 166.7
[M+K]+ 349.82244 141.0
[M+H-H2O]+ 293.85654 158.4
[M+HCOO]- 355.85748 165.2
[M+CH3COO]- 369.87313 201.1
[M+Na-2H]- 331.83395 155.2
[M]+ 310.85873 181.7
[M]- 310.85983 181.7
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.