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
trans-(1R,2S)-2-(4-bromophenyl)cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

240.01498 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.022256 149.6
[M+Na]+ 263.004198 160.0
[M-H]- 239.007704 157.5
[M+NH4]+ 258.048803 172.0
[M+K]+ 278.978138 148.6
[M+H-H2O]+ 223.012240 150.1
[M+HCOO]- 285.013181 169.2
[M+CH3COO]- 299.028831 185.6
[M+Na-2H]- 260.989646 153.7
[M]+ 240.01443142 164.7
[M]- 240.01552858 164.7
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