CID 117166

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

184.06549 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07277 137.7
[M+Na]+ 207.05471 145.8
[M-H]- 183.05821 140.0
[M+NH4]+ 202.09931 158.1
[M+K]+ 223.02865 141.7
[M+H-H2O]+ 167.06275 133.4
[M+HCOO]- 229.06369 155.2
[M+CH3COO]- 243.07934 179.6
[M+Na-2H]- 205.04016 142.6
[M]+ 184.06494 139.3
[M]- 184.06604 139.3
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