CID 165943778

2-(1-bromoethyl)-1-fluoro-4-nitrobenzene

Structural Information

Molecular Formula
C8H7BrFNO2
SMILES
CC(C1=C(C=CC(=C1)[N+](=O)[O-])F)Br
InChI
InChI=1S/C8H7BrFNO2/c1-5(9)7-4-6(11(12)13)2-3-8(7)10/h2-5H,1H3
InChIKey
GLBVKBCSSXSUJN-UHFFFAOYSA-N
Compound name
2-(1-bromoethyl)-1-fluoro-4-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 144.8
[M+Na]+ 269.95364 148.2
[M+NH4]+ 264.99824 149.2
[M+K]+ 285.92758 150.6
[M-H]- 245.95714 145.3
[M+Na-2H]- 267.93909 147.4
[M]+ 246.96387 144.1
[M]- 246.96497 144.1
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.