CID 58182357

3-chloro-5-ethylphenol

Structural Information

Molecular Formula
C8H9ClO
SMILES
CCC1=CC(=CC(=C1)Cl)O
InChI
InChI=1S/C8H9ClO/c1-2-6-3-7(9)5-8(10)4-6/h3-5,10H,2H2,1H3
InChIKey
TVXPDDBBCZWBIE-UHFFFAOYSA-N
Compound name
3-chloro-5-ethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

156.0342 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.041476 127.6
[M+Na]+ 179.023418 137.7
[M-H]- 155.026924 130.5
[M+NH4]+ 174.068023 149.5
[M+K]+ 194.997358 133.8
[M+H-H2O]+ 139.031460 123.9
[M+HCOO]- 201.032401 146.7
[M+CH3COO]- 215.048051 173.8
[M+Na-2H]- 177.008866 134.2
[M]+ 156.03365142 129.5
[M]- 156.03474858 129.5
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