CID 57435887

5-(3-bromophenyl)pentan-1-ol

Structural Information

Molecular Formula
C11H15BrO
SMILES
C1=CC(=CC(=C1)Br)CCCCCO
InChI
InChI=1S/C11H15BrO/c12-11-7-4-6-10(9-11)5-2-1-3-8-13/h4,6-7,9,13H,1-3,5,8H2
InChIKey
LTUDVEJNTKPQGN-UHFFFAOYSA-N
Compound name
5-(3-bromophenyl)pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

242.03062 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.03790 147.9
[M+Na]+ 265.01984 158.1
[M-H]- 241.02334 152.6
[M+NH4]+ 260.06444 168.7
[M+K]+ 280.99378 146.3
[M+H-H2O]+ 225.02788 148.1
[M+HCOO]- 287.02882 168.0
[M+CH3COO]- 301.04447 188.1
[M+Na-2H]- 263.00529 154.7
[M]+ 242.03007 167.0
[M]- 242.03117 167.0
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