CID 102470

1-(4-fluorophenyl)propan-1-ol

Structural Information

Molecular Formula
C9H11FO
SMILES
CCC(C1=CC=C(C=C1)F)O
InChI
InChI=1S/C9H11FO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,9,11H,2H2,1H3
InChIKey
CBNKDCZWGZSHNR-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

152
Patents

154.07939 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.086666 130.0
[M+Na]+ 177.068608 137.8
[M-H]- 153.072114 131.3
[M+NH4]+ 172.113213 150.7
[M+K]+ 193.042548 135.6
[M+H-H2O]+ 137.076650 124.1
[M+HCOO]- 199.077591 151.3
[M+CH3COO]- 213.093241 175.4
[M+Na-2H]- 175.054056 135.3
[M]+ 154.07884142 128.1
[M]- 154.07993858 128.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe