CID 3041042

2-(4-chloro-2-ethylphenoxy)ethanol

Structural Information

Molecular Formula
C10H13ClO2
SMILES
CCC1=C(C=CC(=C1)Cl)OCCO
InChI
InChI=1S/C10H13ClO2/c1-2-8-7-9(11)3-4-10(8)13-6-5-12/h3-4,7,12H,2,5-6H2,1H3
InChIKey
UKFLXEYTPUSQPW-UHFFFAOYSA-N
Compound name
2-(4-chloro-2-ethylphenoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.06041 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.067686 140.1
[M+Na]+ 223.049628 149.3
[M-H]- 199.053134 142.6
[M+NH4]+ 218.094233 160.1
[M+K]+ 239.023568 145.3
[M+H-H2O]+ 183.057670 135.7
[M+HCOO]- 245.058611 158.8
[M+CH3COO]- 259.074261 181.8
[M+Na-2H]- 221.035076 145.5
[M]+ 200.05986142 144.1
[M]- 200.06095858 144.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.