CID 86679

4-chloro-alpha-cyclopropylbenzenemethanol

Structural Information

Molecular Formula

C₁₀H₁₁ClO

SMILES

C1CC1C(C2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C10H11ClO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7,10,12H,1-2H2

InChIKey

CLKPSDBTSRWVOQ-UHFFFAOYSA-N

Compound name

(4-chlorophenyl)-cyclopropylmethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 29
Patents: 182.04984 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	183.057116	131.2
[M+Na]+	205.039058	140.8
[M-H]-	181.042564	137.4
[M+NH4]+	200.083663	146.6
[M+K]+	221.012998	136.3
[M+H-H2O]+	165.047100	126.0
[M+HCOO]-	227.048041	149.5
[M+CH3COO]-	241.063691	181.5
[M+Na-2H]-	203.024506	137.0
[M]+	182.04929142	133.9
[M]-	182.05038858	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe