CID 74808

1989-25-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

170.04984 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05712 133.1
[M+Na]+ 193.03906 142.3
[M-H]- 169.04256 135.8
[M+NH4]+ 188.08366 154.2
[M+K]+ 209.01300 138.4
[M+H-H2O]+ 153.04710 129.4
[M+HCOO]- 215.04804 150.3
[M+CH3COO]- 229.06369 176.0
[M+Na-2H]- 191.02451 140.4
[M]+ 170.04929 134.4
[M]- 170.05039 134.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe