CID 2774661

3-fluoro-4-nitrobenzyl bromide

Structural Information

Molecular Formula
C7H5BrFNO2
SMILES
C1=CC(=C(C=C1CBr)F)[N+](=O)[O-]
InChI
InChI=1S/C7H5BrFNO2/c8-4-5-1-2-7(10(11)12)6(9)3-5/h1-3H,4H2
InChIKey
ZOZJSWIXPIVMRU-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-2-fluoro-1-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

183
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

literature stripe

Patent stripe

patents stripe