CID 637733

2-(4-fluorophenyl)-2-propanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

154.07939 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.086666 129.6
[M+Na]+ 177.068608 138.1
[M-H]- 153.072114 131.2
[M+NH4]+ 172.113213 150.5
[M+K]+ 193.042548 135.9
[M+H-H2O]+ 137.076650 124.3
[M+HCOO]- 199.077591 150.4
[M+CH3COO]- 213.093241 174.9
[M+Na-2H]- 175.054056 136.9
[M]+ 154.07884142 127.9
[M]- 154.07993858 127.9
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