CID 43810087

2-(2-fluorophenyl)propan-2-ol

Structural Information

Molecular Formula
C9H11FO
SMILES
CC(C)(C1=CC=CC=C1F)O
InChI
InChI=1S/C9H11FO/c1-9(2,11)7-5-3-4-6-8(7)10/h3-6,11H,1-2H3
InChIKey
JNAFCVRVHMQOCR-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

154.07939 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08667 129.6
[M+Na]+ 177.06861 138.1
[M-H]- 153.07211 131.2
[M+NH4]+ 172.11321 150.5
[M+K]+ 193.04255 135.9
[M+H-H2O]+ 137.07665 124.3
[M+HCOO]- 199.07759 150.4
[M+CH3COO]- 213.09324 174.9
[M+Na-2H]- 175.05406 136.9
[M]+ 154.07884 127.9
[M]- 154.07994 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