CID 202426

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

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

25
Patents

184.06549 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07277 137.4
[M+Na]+ 207.05471 145.3
[M-H]- 183.05821 139.8
[M+NH4]+ 202.09931 157.7
[M+K]+ 223.02865 141.6
[M+H-H2O]+ 167.06275 133.3
[M+HCOO]- 229.06369 153.9
[M+CH3COO]- 243.07934 180.4
[M+Na-2H]- 205.04016 141.1
[M]+ 184.06494 138.4
[M]- 184.06604 138.4
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

No patent data available for this compound.