CID 20823871

4-fluoro-2-(propan-2-yl)phenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

154.07939 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08667 129.2
[M+Na]+ 177.06861 137.9
[M-H]- 153.07211 130.8
[M+NH4]+ 172.11321 150.2
[M+K]+ 193.04255 135.7
[M+H-H2O]+ 137.07665 123.5
[M+HCOO]- 199.07759 150.5
[M+CH3COO]- 213.09324 176.5
[M+Na-2H]- 175.05406 133.8
[M]+ 154.07884 127.7
[M]- 154.07994 127.7
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