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

17
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

literature stripe

Patent stripe

patents stripe