CID 246772

4-chloro-2,3,5-trimethylphenol

Structural Information

Molecular Formula
C9H11ClO
SMILES
CC1=CC(=C(C(=C1Cl)C)C)O
InChI
InChI=1S/C9H11ClO/c1-5-4-8(11)6(2)7(3)9(5)10/h4,11H,1-3H3
InChIKey
LXBONPACIOPBAZ-UHFFFAOYSA-N
Compound name
4-chloro-2,3,5-trimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

170.04984 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05712 131.6
[M+Na]+ 193.03906 147.0
[M+NH4]+ 188.08366 141.3
[M+K]+ 209.01300 139.7
[M-H]- 169.04256 134.3
[M+Na-2H]- 191.02451 138.7
[M]+ 170.04929 135.0
[M]- 170.05039 135.0
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