CID 18786552

1-(4-bromobutyl)-2-fluorobenzene

Structural Information

Molecular Formula
C10H12BrF
SMILES
C1=CC=C(C(=C1)CCCCBr)F
InChI
InChI=1S/C10H12BrF/c11-8-4-3-6-9-5-1-2-7-10(9)12/h1-2,5,7H,3-4,6,8H2
InChIKey
CGNAYVOOGLVBDX-UHFFFAOYSA-N
Compound name
1-(4-bromobutyl)-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

230.01064 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.017916 143.2
[M+Na]+ 252.999858 154.4
[M-H]- 229.003364 148.1
[M+NH4]+ 248.044463 165.1
[M+K]+ 268.973798 142.9
[M+H-H2O]+ 213.007900 142.8
[M+HCOO]- 275.008841 163.9
[M+CH3COO]- 289.024491 188.5
[M+Na-2H]- 250.985306 150.5
[M]+ 230.01009142 161.3
[M]- 230.01118858 161.3
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