CID 22037947

4-(4-fluorophenyl)butan-1-ol

Structural Information

Molecular Formula
C10H13FO
SMILES
C1=CC(=CC=C1CCCCO)F
InChI
InChI=1S/C10H13FO/c11-10-6-4-9(5-7-10)3-1-2-8-12/h4-7,12H,1-3,8H2
InChIKey
SFWCSEDMBWCHQL-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
Patents

168.09505 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.102326 134.4
[M+Na]+ 191.084268 141.9
[M-H]- 167.087774 135.3
[M+NH4]+ 186.128873 154.5
[M+K]+ 207.058208 139.0
[M+H-H2O]+ 151.092310 128.1
[M+HCOO]- 213.093251 156.3
[M+CH3COO]- 227.108901 177.6
[M+Na-2H]- 189.069716 140.4
[M]+ 168.09450142 133.5
[M]- 168.09559858 133.5
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