CID 18461714

1-(3-bromophenyl)cyclopentan-1-ol

Structural Information

Molecular Formula
C11H13BrO
SMILES
C1CCC(C1)(C2=CC(=CC=C2)Br)O
InChI
InChI=1S/C11H13BrO/c12-10-5-3-4-9(8-10)11(13)6-1-2-7-11/h3-5,8,13H,1-2,6-7H2
InChIKey
ZYMFSRNLGZANMQ-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

240.01498 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.02226 148.7
[M+Na]+ 263.00420 159.2
[M-H]- 239.00770 156.7
[M+NH4]+ 258.04880 172.8
[M+K]+ 278.97814 148.0
[M+H-H2O]+ 223.01224 149.8
[M+HCOO]- 285.01318 168.5
[M+CH3COO]- 299.02883 184.1
[M+Na-2H]- 260.98965 154.6
[M]+ 240.01443 164.0
[M]- 240.01553 164.0
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