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

32
Patents

184.06549 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07277 136.3
[M+Na]+ 207.05471 146.6
[M-H]- 183.05821 139.3
[M+NH4]+ 202.09931 157.4
[M+K]+ 223.02865 142.1
[M+H-H2O]+ 167.06275 132.5
[M+HCOO]- 229.06369 154.8
[M+CH3COO]- 243.07934 181.0
[M+Na-2H]- 205.04016 141.1
[M]+ 184.06494 139.3
[M]- 184.06604 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