CID 14266244

4-(4-chlorophenyl)butan-1-ol

Structural Information

Molecular Formula
C10H13ClO
SMILES
C1=CC(=CC=C1CCCCO)Cl
InChI
InChI=1S/C10H13ClO/c11-10-6-4-9(5-7-10)3-1-2-8-12/h4-7,12H,1-3,8H2
InChIKey
UIXDXDYFMWTCEQ-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

184.06549 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07277 137.7
[M+Na]+ 207.05471 146.0
[M-H]- 183.05821 139.8
[M+NH4]+ 202.09931 158.1
[M+K]+ 223.02865 141.4
[M+H-H2O]+ 167.06275 133.2
[M+HCOO]- 229.06369 156.1
[M+CH3COO]- 243.07934 178.7
[M+Na-2H]- 205.04016 143.8
[M]+ 184.06494 139.8
[M]- 184.06604 139.8
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