CID 3041038

4-chloro-2-ethyl-6-propylphenol

Structural Information

Molecular Formula
C11H15ClO
SMILES
CCCC1=CC(=CC(=C1O)CC)Cl
InChI
InChI=1S/C11H15ClO/c1-3-5-9-7-10(12)6-8(4-2)11(9)13/h6-7,13H,3-5H2,1-2H3
InChIKey
JVNXTUREBXMKOL-UHFFFAOYSA-N
Compound name
4-chloro-2-ethyl-6-propylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

198.08115 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08843 141.1
[M+Na]+ 221.07037 150.9
[M-H]- 197.07387 143.8
[M+NH4]+ 216.11497 161.6
[M+K]+ 237.04431 146.2
[M+H-H2O]+ 181.07841 137.0
[M+HCOO]- 243.07935 159.2
[M+CH3COO]- 257.09500 184.0
[M+Na-2H]- 219.05582 145.3
[M]+ 198.08060 144.4
[M]- 198.08170 144.4
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