CID 141525844

344462-76-6

Structural Information

Molecular Formula
C11H13BrO
SMILES
C1C[C@H]([C@@H](C1)O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H13BrO/c12-9-6-4-8(5-7-9)10-2-1-3-11(10)13/h4-7,10-11,13H,1-3H2/t10-,11+/m0/s1
InChIKey
ONGMKAURCOGHPU-WDEREUQCSA-N
Compound name
(1R,2S)-2-(4-bromophenyl)cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.01498 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.02226 149.8
[M+Na]+ 263.00420 152.6
[M+NH4]+ 258.04880 155.5
[M+K]+ 278.97814 153.1
[M-H]- 239.00770 151.8
[M+Na-2H]- 260.98965 153.2
[M]+ 240.01443 149.5
[M]- 240.01553 149.5
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