CID 13510170

(2-chloroethyl)cyclohexane

Structural Information

Molecular Formula
C8H15Cl
SMILES
C1CCC(CC1)CCCl
InChI
InChI=1S/C8H15Cl/c9-7-6-8-4-2-1-3-5-8/h8H,1-7H2
InChIKey
TYRMEBINDCQOHD-UHFFFAOYSA-N
Compound name
2-chloroethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

611
Patents

146.08623 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.09351 131.6
[M+Na]+ 169.07545 137.1
[M-H]- 145.07895 134.0
[M+NH4]+ 164.12005 153.6
[M+K]+ 185.04939 134.2
[M+H-H2O]+ 129.08349 127.1
[M+HCOO]- 191.08443 147.5
[M+CH3COO]- 205.10008 173.5
[M+Na-2H]- 167.06090 136.9
[M]+ 146.08568 128.7
[M]- 146.08678 128.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe