CID 44096

4-chloro-alpha,alpha-dicyclopropylbenzenemethanol

Structural Information

Molecular Formula
C13H15ClO
SMILES
C1CC1C(C2CC2)(C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C13H15ClO/c14-12-7-5-11(6-8-12)13(15,9-1-2-9)10-3-4-10/h5-10,15H,1-4H2
InChIKey
OVIMMGOKMSTAHQ-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-dicyclopropylmethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

222.08115 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.08843 146.9
[M+Na]+ 245.07037 154.1
[M-H]- 221.07387 154.8
[M+NH4]+ 240.11497 154.2
[M+K]+ 261.04431 150.9
[M+H-H2O]+ 205.07841 141.6
[M+HCOO]- 267.07935 161.7
[M+CH3COO]- 281.09500 197.2
[M+Na-2H]- 243.05582 151.1
[M]+ 222.08060 150.4
[M]- 222.08170 150.4
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