CID 13561298

3-bromo-1-phenylpropan-1-ol

Structural Information

Molecular Formula
C9H11BrO
SMILES
C1=CC=C(C=C1)C(CCBr)O
InChI
InChI=1S/C9H11BrO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2
InChIKey
BDPYJUFDDFXDTO-UHFFFAOYSA-N
Compound name
3-bromo-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

213.99933 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.00661 138.0
[M+Na]+ 236.98855 141.1
[M+NH4]+ 232.03315 143.3
[M+K]+ 252.96249 140.8
[M-H]- 212.99205 138.6
[M+Na-2H]- 234.97400 142.0
[M]+ 213.99878 137.4
[M]- 213.99988 137.4
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