CID 247901

2,4-dichloro-3-ethyl-5-methylphenol

Structural Information

Molecular Formula
C9H10Cl2O
SMILES
CCC1=C(C(=CC(=C1Cl)O)C)Cl
InChI
InChI=1S/C9H10Cl2O/c1-3-6-8(10)5(2)4-7(12)9(6)11/h4,12H,3H2,1-2H3
InChIKey
NOEYLPXWMIBMCJ-UHFFFAOYSA-N
Compound name
2,4-dichloro-3-ethyl-5-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.01086 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.01814 136.8
[M+Na]+ 227.00008 148.6
[M-H]- 203.00358 139.5
[M+NH4]+ 222.04468 157.7
[M+K]+ 242.97402 143.0
[M+H-H2O]+ 187.00812 134.2
[M+HCOO]- 249.00906 150.5
[M+CH3COO]- 263.02471 184.0
[M+Na-2H]- 224.98553 140.7
[M]+ 204.01031 140.7
[M]- 204.01141 140.7
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