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]+ 202.98662 134.4
[M+Na]+ 224.96856 146.2
[M-H]- 200.97206 139.8
[M+NH4]+ 220.01316 157.3
[M+K]+ 240.94250 135.6
[M+H-H2O]+ 184.97660 134.4
[M+HCOO]- 246.97754 154.8
[M+CH3COO]- 260.99319 183.6
[M+Na-2H]- 222.95401 141.6
[M]+ 201.97879 151.2
[M]- 201.97989 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