CID 6372219

Geranyl chloride

Structural Information

Molecular Formula

C₁₀H₁₇Cl

SMILES

CC(=CCC/C(=C/CCl)/C)C

InChI

InChI=1S/C10H17Cl/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6,8H2,1-3H3/b10-7+

InChIKey

WLAUCMCTKPXDIY-JXMROGBWSA-N

Compound name

(2E)-1-chloro-3,7-dimethylocta-2,6-diene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 609
Patents: 172.10188 Da
Monoisotopic Mass: 4.2
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]+	173.10916	140.4
[M+Na]+	195.09110	147.2
[M-H]-	171.09460	140.3
[M+NH4]+	190.13570	161.9
[M+K]+	211.06504	143.4
[M+H-H2O]+	155.09914	136.8
[M+HCOO]-	217.10008	156.9
[M+CH3COO]-	231.11573	181.8
[M+Na-2H]-	193.07655	142.6
[M]+	172.10133	142.2
[M]-	172.10243	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe