CID 26620

Chrysanthemoyl chloride

Structural Information

Molecular Formula

C₁₀H₁₅ClO

SMILES

CC(=CC1C(C1(C)C)C(=O)Cl)C

InChI

InChI=1S/C10H15ClO/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3

InChIKey

VNTCVNLNEOVBEE-UHFFFAOYSA-N

Compound name

2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 244
Patents: 186.08115 Da
Monoisotopic Mass: 4.4
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]+	187.08843	138.2
[M+Na]+	209.07037	151.2
[M+NH4]+	204.11497	148.3
[M+K]+	225.04431	145.2
[M-H]-	185.07387	145.8
[M+Na-2H]-	207.05582	146.3
[M]+	186.08060	143.7
[M]-	186.08170	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe