CID 14943417

1-(3-bromopropyl)-3-fluorobenzene

Structural Information

Molecular Formula
C9H10BrF
SMILES
C1=CC(=CC(=C1)F)CCCBr
InChI
InChI=1S/C9H10BrF/c10-6-2-4-8-3-1-5-9(11)7-8/h1,3,5,7H,2,4,6H2
InChIKey
CDHMFRCDGRGHMA-UHFFFAOYSA-N
Compound name
1-(3-bromopropyl)-3-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

215.995 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.00228 140.7
[M+Na]+ 238.98422 144.6
[M+NH4]+ 234.02882 146.2
[M+K]+ 254.95816 142.8
[M-H]- 214.98772 141.1
[M+Na-2H]- 236.96967 144.8
[M]+ 215.99445 140.2
[M]- 215.99555 140.2
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

patents stripe