CID 79609

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

Structural Information

Molecular Formula
C10H13ClO
SMILES
CC(C)(CC1=CC=C(C=C1)Cl)O
InChI
InChI=1S/C10H13ClO/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6,12H,7H2,1-2H3
InChIKey
WAAJRPRSQXYYAA-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

184.06549 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07277 137.8
[M+Na]+ 207.05471 146.6
[M-H]- 183.05821 140.4
[M+NH4]+ 202.09931 158.4
[M+K]+ 223.02865 142.5
[M+H-H2O]+ 167.06275 133.9
[M+HCOO]- 229.06369 154.7
[M+CH3COO]- 243.07934 179.1
[M+Na-2H]- 205.04016 144.6
[M]+ 184.06494 139.6
[M]- 184.06604 139.6
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