CID 59140567

1243439-86-2

Structural Information

Molecular Formula
C9H11ClO
SMILES
CC(C)C1=CC(=CC(=C1)Cl)O
InChI
InChI=1S/C9H11ClO/c1-6(2)7-3-8(10)5-9(11)4-7/h3-6,11H,1-2H3
InChIKey
RIXWTIIPMOFQSR-UHFFFAOYSA-N
Compound name
3-chloro-5-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

170.04984 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05712 132.1
[M+Na]+ 193.03906 141.6
[M-H]- 169.04256 135.0
[M+NH4]+ 188.08366 153.4
[M+K]+ 209.01300 137.8
[M+H-H2O]+ 153.04710 128.3
[M+HCOO]- 215.04804 150.0
[M+CH3COO]- 229.06369 177.7
[M+Na-2H]- 191.02451 137.0
[M]+ 170.04929 133.8
[M]- 170.05039 133.8
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