CID 63018001

1-(2-bromopropyl)-4-fluorobenzene

Structural Information

Molecular Formula
C9H10BrF
SMILES
CC(CC1=CC=C(C=C1)F)Br
InChI
InChI=1S/C9H10BrF/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3
InChIKey
RDWSJTJBWZPFHH-UHFFFAOYSA-N
Compound name
1-(2-bromopropyl)-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.995 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.00228 139.5
[M+Na]+ 238.98422 143.1
[M+NH4]+ 234.02882 144.9
[M+K]+ 254.95816 142.1
[M-H]- 214.98772 139.7
[M+Na-2H]- 236.96967 143.4
[M]+ 215.99445 138.9
[M]- 215.99555 138.9
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

No patent data available for this compound.