CID 23463

62586-85-0

Structural Information

Molecular Formula
C11H13ClO
SMILES
CC(C1CC1)(C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C11H13ClO/c1-11(13,8-2-3-8)9-4-6-10(12)7-5-9/h4-8,13H,2-3H2,1H3
InChIKey
OSFCGPVNQAPOHW-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-1-cyclopropylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

196.06549 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.07277 136.2
[M+Na]+ 219.05471 146.1
[M-H]- 195.05821 142.5
[M+NH4]+ 214.09931 151.3
[M+K]+ 235.02865 141.4
[M+H-H2O]+ 179.06275 131.2
[M+HCOO]- 241.06369 153.5
[M+CH3COO]- 255.07934 183.9
[M+Na-2H]- 217.04016 143.2
[M]+ 196.06494 139.4
[M]- 196.06604 139.4
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