CID 19078385

1-(4-chlorophenyl)-2-cyclopropylpropan-1-ol

Structural Information

Molecular Formula
C12H15ClO
SMILES
CC(C1CC1)C(C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C12H15ClO/c1-8(9-2-3-9)12(14)10-4-6-11(13)7-5-10/h4-9,12,14H,2-3H2,1H3
InChIKey
MMHBKNHHEADGHK-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-cyclopropylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

210.08115 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.088426 138.9
[M+Na]+ 233.070368 147.4
[M-H]- 209.073874 144.8
[M+NH4]+ 228.114973 153.1
[M+K]+ 249.044308 142.8
[M+H-H2O]+ 193.078410 133.4
[M+HCOO]- 255.079351 155.6
[M+CH3COO]- 269.095001 188.1
[M+Na-2H]- 231.055816 142.5
[M]+ 210.08060142 141.7
[M]- 210.08169858 141.7
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