CID 15590446

2-(4-chlorophenyl)butan-2-ol

Structural Information

Molecular Formula
C10H13ClO
SMILES
CCC(C)(C1=CC=C(C=C1)Cl)O
InChI
InChI=1S/C10H13ClO/c1-3-10(2,12)8-4-6-9(11)7-5-8/h4-7,12H,3H2,1-2H3
InChIKey
IACNUIYMPFGNAN-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

184.06549 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.072766 137.8
[M+Na]+ 207.054708 146.6
[M-H]- 183.058214 140.4
[M+NH4]+ 202.099313 158.4
[M+K]+ 223.028648 142.5
[M+H-H2O]+ 167.062750 133.9
[M+HCOO]- 229.063691 154.7
[M+CH3COO]- 243.079341 179.1
[M+Na-2H]- 205.040156 144.6
[M]+ 184.06494142 139.6
[M]- 184.06603858 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

No literature data available for this compound.

Patent stripe

patents stripe