CID 26450

Proclonol

Structural Information

Molecular Formula

C₁₆H₁₄Cl₂O

SMILES

C1CC1C(C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C16H14Cl2O/c17-14-7-3-12(4-8-14)16(19,11-1-2-11)13-5-9-15(18)10-6-13/h3-11,19H,1-2H2

InChIKey

BKAYSPSVVJBHHK-UHFFFAOYSA-N

Compound name

bis(4-chlorophenyl)-cyclopropylmethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 4456
Patents: 292.04218 Da
Monoisotopic Mass: 5.5
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]+	293.049456	154.7
[M+Na]+	315.031398	164.5
[M-H]-	291.034904	162.6
[M+NH4]+	310.076003	166.1
[M+K]+	331.005338	157.7
[M+H-H2O]+	275.039440	148.7
[M+HCOO]-	337.040381	166.9
[M+CH3COO]-	351.056031	166.2
[M+Na-2H]-	313.016846	160.1
[M]+	292.04163142	158.6
[M]-	292.04272858	158.6

Literature stripe

literature stripe

Patent stripe

patents stripe