CID 29355

2-chloro-4-ethylphenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

687
Patents

156.0342 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04148 127.6
[M+Na]+ 179.02342 137.7
[M-H]- 155.02692 130.5
[M+NH4]+ 174.06802 149.5
[M+K]+ 194.99736 133.8
[M+H-H2O]+ 139.03146 123.9
[M+HCOO]- 201.03240 146.7
[M+CH3COO]- 215.04805 173.8
[M+Na-2H]- 177.00887 134.2
[M]+ 156.03365 129.5
[M]- 156.03475 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

literature stripe

Patent stripe

patents stripe