CID 3041037

4-chloro-2,6-diethylphenol

Structural Information

Molecular Formula
C10H13ClO
SMILES
CCC1=CC(=CC(=C1O)CC)Cl
InChI
InChI=1S/C10H13ClO/c1-3-7-5-9(11)6-8(4-2)10(7)12/h5-6,12H,3-4H2,1-2H3
InChIKey
OXKBCHQEHIGUDI-UHFFFAOYSA-N
Compound name
4-chloro-2,6-diethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

184.06549 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.072766 136.3
[M+Na]+ 207.054708 146.6
[M-H]- 183.058214 139.3
[M+NH4]+ 202.099313 157.4
[M+K]+ 223.028648 142.1
[M+H-H2O]+ 167.062750 132.5
[M+HCOO]- 229.063691 154.8
[M+CH3COO]- 243.079341 181.0
[M+Na-2H]- 205.040156 141.1
[M]+ 184.06494142 139.3
[M]- 184.06603858 139.3
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

patents stripe