CID 91987

1-(4-bromophenyl)-1-cyclopropylethanol

Structural Information

Molecular Formula
C11H13BrO
SMILES
CC(C1CC1)(C2=CC=C(C=C2)Br)O
InChI
InChI=1S/C11H13BrO/c1-11(13,8-2-3-8)9-4-6-10(12)7-5-9/h4-8,13H,2-3H2,1H3
InChIKey
AKWHXCFLUPFEEX-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-1-cyclopropylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

240.01498 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.022256 145.5
[M+Na]+ 263.004198 157.9
[M-H]- 239.007704 154.3
[M+NH4]+ 258.048803 161.9
[M+K]+ 278.978138 146.3
[M+H-H2O]+ 223.012240 145.6
[M+HCOO]- 285.013181 164.9
[M+CH3COO]- 299.028831 190.0
[M+Na-2H]- 260.989646 153.4
[M]+ 240.01443142 164.5
[M]- 240.01552858 164.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe