CID 117380288

3-(4-bromo-2,6-difluorophenyl)propan-1-ol

Structural Information

Molecular Formula
C9H9BrF2O
SMILES
C1=C(C=C(C(=C1F)CCCO)F)Br
InChI
InChI=1S/C9H9BrF2O/c10-6-4-8(11)7(2-1-3-13)9(12)5-6/h4-5,13H,1-3H2
InChIKey
XXUTVIXQLDIRHA-UHFFFAOYSA-N
Compound name
3-(4-bromo-2,6-difluorophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

249.98048 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.98776 145.2
[M+Na]+ 272.96970 157.9
[M-H]- 248.97320 148.1
[M+NH4]+ 268.01430 165.9
[M+K]+ 288.94364 145.6
[M+H-H2O]+ 232.97774 144.0
[M+HCOO]- 294.97868 163.8
[M+CH3COO]- 308.99433 189.7
[M+Na-2H]- 270.95515 150.3
[M]+ 249.97993 161.9
[M]- 249.98103 161.9
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

patents stripe