CID 112631059

1-(2-bromo-6-fluorophenyl)pentan-1-ol

Structural Information

Molecular Formula
C11H14BrFO
SMILES
CCCCC(C1=C(C=CC=C1Br)F)O
InChI
InChI=1S/C11H14BrFO/c1-2-3-7-10(14)11-8(12)5-4-6-9(11)13/h4-6,10,14H,2-3,7H2,1H3
InChIKey
DWOGMGVHBCUAKD-UHFFFAOYSA-N
Compound name
1-(2-bromo-6-fluorophenyl)pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0212 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.02848 151.9
[M+Na]+ 283.01042 162.6
[M-H]- 259.01392 155.6
[M+NH4]+ 278.05502 172.0
[M+K]+ 298.98436 150.7
[M+H-H2O]+ 243.01846 151.2
[M+HCOO]- 305.01940 169.9
[M+CH3COO]- 319.03505 192.4
[M+Na-2H]- 280.99587 156.0
[M]+ 260.02065 169.5
[M]- 260.02175 169.5
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.