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

69
Patents

168.09505 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.10233 134.4
[M+Na]+ 191.08427 141.9
[M-H]- 167.08777 135.3
[M+NH4]+ 186.12887 154.5
[M+K]+ 207.05821 139.0
[M+H-H2O]+ 151.09231 128.1
[M+HCOO]- 213.09325 156.3
[M+CH3COO]- 227.10890 177.6
[M+Na-2H]- 189.06972 140.4
[M]+ 168.09450 133.5
[M]- 168.09560 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