CID 13389030

1-(1-bromoethyl)-4-fluorobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

605
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

literature stripe

Patent stripe

patents stripe