CID 12499851

1-(4-chlorophenyl)propan-2-ol

Structural Information

Molecular Formula
C9H11ClO
SMILES
CC(CC1=CC=C(C=C1)Cl)O
InChI
InChI=1S/C9H11ClO/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7,11H,6H2,1H3
InChIKey
NIMKQJOVJKIOPX-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
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 133.0
[M+Na]+ 193.03906 141.5
[M-H]- 169.04256 135.4
[M+NH4]+ 188.08366 153.9
[M+K]+ 209.01300 137.6
[M+H-H2O]+ 153.04710 128.9
[M+HCOO]- 215.04804 150.8
[M+CH3COO]- 229.06369 176.5
[M+Na-2H]- 191.02451 138.4
[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