CID 11459122

2-(4-bromophenyl)pent-4-en-2-ol

Structural Information

Molecular Formula
C11H13BrO
SMILES
CC(CC=C)(C1=CC=C(C=C1)Br)O
InChI
InChI=1S/C11H13BrO/c1-3-8-11(2,13)9-4-6-10(12)7-5-9/h3-7,13H,1,8H2,2H3
InChIKey
NSJCWZRCICHXDA-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)pent-4-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

240.01498 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.02226 146.1
[M+Na]+ 263.00420 149.3
[M+NH4]+ 258.04880 150.8
[M+K]+ 278.97814 149.0
[M-H]- 239.00770 146.1
[M+Na-2H]- 260.98965 149.5
[M]+ 240.01443 145.5
[M]- 240.01553 145.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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