CID 573129

1-(2-bromoethyl)-3-fluorobenzene

Structural Information

Molecular Formula
C8H8BrF
SMILES
C1=CC(=CC(=C1)F)CCBr
InChI
InChI=1S/C8H8BrF/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6H,4-5H2
InChIKey
GLVSPVSJMYQIPJ-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-3-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

451
Patents

201.97934 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.98662 133.8
[M+Na]+ 224.96856 145.8
[M-H]- 200.97206 139.1
[M+NH4]+ 220.01316 156.8
[M+K]+ 240.94250 134.8
[M+H-H2O]+ 184.97660 133.8
[M+HCOO]- 246.97754 155.2
[M+CH3COO]- 260.99319 182.9
[M+Na-2H]- 222.95401 142.2
[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

literature stripe

Patent stripe

patents stripe