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

75
Patents

184.06549 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.072766 137.7
[M+Na]+ 207.054708 146.0
[M-H]- 183.058214 139.8
[M+NH4]+ 202.099313 158.1
[M+K]+ 223.028648 141.4
[M+H-H2O]+ 167.062750 133.2
[M+HCOO]- 229.063691 156.1
[M+CH3COO]- 243.079341 178.7
[M+Na-2H]- 205.040156 143.8
[M]+ 184.06494142 139.8
[M]- 184.06603858 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