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

13
Patents

230.01064 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.01792 143.2
[M+Na]+ 252.99986 154.4
[M-H]- 229.00336 148.1
[M+NH4]+ 248.04446 165.1
[M+K]+ 268.97380 142.9
[M+H-H2O]+ 213.00790 142.8
[M+HCOO]- 275.00884 163.9
[M+CH3COO]- 289.02449 188.5
[M+Na-2H]- 250.98531 150.5
[M]+ 230.01009 161.3
[M]- 230.01119 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