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]+ 201.06769 140.1
[M+Na]+ 223.04963 149.3
[M-H]- 199.05313 142.6
[M+NH4]+ 218.09423 160.1
[M+K]+ 239.02357 145.3
[M+H-H2O]+ 183.05767 135.7
[M+HCOO]- 245.05861 158.8
[M+CH3COO]- 259.07426 181.8
[M+Na-2H]- 221.03508 145.5
[M]+ 200.05986 144.1
[M]- 200.06096 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.