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

45
Patents

154.07939 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.086666 128.3
[M+Na]+ 177.068608 138.2
[M-H]- 153.072114 130.3
[M+NH4]+ 172.113213 149.7
[M+K]+ 193.042548 135.6
[M+H-H2O]+ 137.076650 122.8
[M+HCOO]- 199.077591 150.6
[M+CH3COO]- 213.093241 176.8
[M+Na-2H]- 175.054056 133.5
[M]+ 154.07884142 127.8
[M]- 154.07993858 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