CID 593110

2-(3-chlorophenyl)propan-2-ol

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

36
Patents

170.04984 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05712 133.8
[M+Na]+ 193.03906 147.7
[M+NH4]+ 188.08366 143.3
[M+K]+ 209.01300 141.0
[M-H]- 169.04256 135.7
[M+Na-2H]- 191.02451 141.4
[M]+ 170.04929 136.8
[M]- 170.05039 136.8
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