CID 15680232

1-(1-bromoethyl)-2-fluorobenzene

Structural Information

Molecular Formula
C8H8BrF
SMILES
CC(C1=CC=CC=C1F)Br
InChI
InChI=1S/C8H8BrF/c1-6(9)7-4-2-3-5-8(7)10/h2-6H,1H3
InChIKey
VYBHHNJUTAAMCG-UHFFFAOYSA-N
Compound name
1-(1-bromoethyl)-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
Patents

201.97934 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.986616 134.4
[M+Na]+ 224.968558 146.2
[M-H]- 200.972064 139.8
[M+NH4]+ 220.013163 157.3
[M+K]+ 240.942498 135.6
[M+H-H2O]+ 184.976600 134.4
[M+HCOO]- 246.977541 154.8
[M+CH3COO]- 260.993191 183.6
[M+Na-2H]- 222.954006 141.6
[M]+ 201.97879142 151.2
[M]- 201.97988858 151.2
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