CID 45158824

1-bromo-4-(1-fluoroethyl)benzene

Structural Information

Molecular Formula
C8H8BrF
SMILES
CC(C1=CC=C(C=C1)Br)F
InChI
InChI=1S/C8H8BrF/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,1H3
InChIKey
DSUJAJAXIXMOKC-UHFFFAOYSA-N
Compound name
1-bromo-4-(1-fluoroethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

201.97934 Da
Monoisotopic Mass

3.2
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

literature stripe

Patent stripe

patents stripe