CID 13442929

(1-bromo-2-fluoroethyl)benzene

Structural Information

Molecular Formula
C8H8BrF
SMILES
C1=CC=C(C=C1)C(CF)Br
InChI
InChI=1S/C8H8BrF/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKey
AZWJTBRXGIPLHX-UHFFFAOYSA-N
Compound name
(1-bromo-2-fluoroethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

201.97934 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.98662 135.3
[M+Na]+ 224.96856 146.2
[M-H]- 200.97206 140.3
[M+NH4]+ 220.01316 157.9
[M+K]+ 240.94250 135.6
[M+H-H2O]+ 184.97660 135.1
[M+HCOO]- 246.97754 155.7
[M+CH3COO]- 260.99319 182.6
[M+Na-2H]- 222.95401 143.1
[M]+ 201.97879 151.8
[M]- 201.97989 151.8
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