CID 53434338

3-(5-bromo-2-fluorophenyl)propan-1-ol

Structural Information

Molecular Formula
C9H10BrFO
SMILES
C1=CC(=C(C=C1Br)CCCO)F
InChI
InChI=1S/C9H10BrFO/c10-8-3-4-9(11)7(6-8)2-1-5-12/h3-4,6,12H,1-2,5H2
InChIKey
RADLVHVOWIOWAY-UHFFFAOYSA-N
Compound name
3-(5-bromo-2-fluorophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

231.98991 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.997186 141.9
[M+Na]+ 254.979128 153.8
[M-H]- 230.982634 145.9
[M+NH4]+ 250.023733 163.2
[M+K]+ 270.953068 142.0
[M+H-H2O]+ 214.987170 141.6
[M+HCOO]- 276.988111 161.6
[M+CH3COO]- 291.003761 186.0
[M+Na-2H]- 252.964576 148.4
[M]+ 231.98936142 159.5
[M]- 231.99045858 159.5
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

patents stripe