CID 40738

O-cresol, 4-chloro-6-ethyl-

Structural Information

Molecular Formula
C9H11ClO
SMILES
CCC1=C(C(=CC(=C1)Cl)C)O
InChI
InChI=1S/C9H11ClO/c1-3-7-5-8(10)4-6(2)9(7)11/h4-5,11H,3H2,1-2H3
InChIKey
UAZSNTRHVDOYOW-UHFFFAOYSA-N
Compound name
4-chloro-2-ethyl-6-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

170.04984 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05712 131.6
[M+Na]+ 193.03906 142.2
[M-H]- 169.04256 134.7
[M+NH4]+ 188.08366 153.2
[M+K]+ 209.01300 138.1
[M+H-H2O]+ 153.04710 128.0
[M+HCOO]- 215.04804 150.4
[M+CH3COO]- 229.06369 178.0
[M+Na-2H]- 191.02451 137.0
[M]+ 170.04929 134.2
[M]- 170.05039 134.2
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