CID 18550422

252004-36-7

Structural Information

Molecular Formula
C9H11FO
SMILES
CC1=CC(=C(C(=C1)F)CO)C
InChI
InChI=1S/C9H11FO/c1-6-3-7(2)8(5-11)9(10)4-6/h3-4,11H,5H2,1-2H3
InChIKey
NFEMQPHLTXHHBH-UHFFFAOYSA-N
Compound name
(2-fluoro-4,6-dimethylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

154.07939 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08667 128.3
[M+Na]+ 177.06861 138.2
[M-H]- 153.07211 130.3
[M+NH4]+ 172.11321 149.7
[M+K]+ 193.04255 135.6
[M+H-H2O]+ 137.07665 122.8
[M+HCOO]- 199.07759 150.6
[M+CH3COO]- 213.09324 176.8
[M+Na-2H]- 175.05406 133.5
[M]+ 154.07884 127.8
[M]- 154.07994 127.8
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