CID 130850786

2-fluoro-4-methyl-5-nitrobenzyl bromide

Structural Information

Molecular Formula
C8H7BrFNO2
SMILES
CC1=CC(=C(C=C1[N+](=O)[O-])CBr)F
InChI
InChI=1S/C8H7BrFNO2/c1-5-2-7(10)6(4-9)3-8(5)11(12)13/h2-3H,4H2,1H3
InChIKey
JQPYTKHUFDLKBT-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2-fluoro-4-methyl-5-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.96442 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.97170 146.0
[M+Na]+ 269.95364 150.1
[M+NH4]+ 264.99824 150.5
[M+K]+ 285.92758 151.8
[M-H]- 245.95714 146.8
[M+Na-2H]- 267.93909 148.7
[M]+ 246.96387 145.6
[M]- 246.96497 145.6
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.