CID 59139151

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

Structural Information

Molecular Formula
C7H5BrFNO2
SMILES
C1=CC(=C(C(=C1)[N+](=O)[O-])F)CBr
InChI
InChI=1S/C7H5BrFNO2/c8-4-5-2-1-3-6(7(5)9)10(11)12/h1-3H,4H2
InChIKey
MIESICVJNXXYKC-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2-fluoro-3-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

198
Patents

232.94878 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.95606 139.9
[M+Na]+ 255.93800 151.9
[M-H]- 231.94150 145.5
[M+NH4]+ 250.98260 161.0
[M+K]+ 271.91194 137.4
[M+H-H2O]+ 215.94604 143.4
[M+HCOO]- 277.94698 162.6
[M+CH3COO]- 291.96263 182.3
[M+Na-2H]- 253.92345 148.5
[M]+ 232.94823 157.0
[M]- 232.94933 157.0
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