CID 118270551

(3-ethyl-2-fluorophenyl)methanol

Structural Information

Molecular Formula
C9H11FO
SMILES
CCC1=C(C(=CC=C1)CO)F
InChI
InChI=1S/C9H11FO/c1-2-7-4-3-5-8(6-11)9(7)10/h3-5,11H,2,6H2,1H3
InChIKey
CGXWEXWKPRCLHM-UHFFFAOYSA-N
Compound name
(3-ethyl-2-fluorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 129.1
[M+Na]+ 177.06861 138.0
[M-H]- 153.07211 130.6
[M+NH4]+ 172.11321 150.1
[M+K]+ 193.04255 135.4
[M+H-H2O]+ 137.07665 123.3
[M+HCOO]- 199.07759 151.4
[M+CH3COO]- 213.09324 175.7
[M+Na-2H]- 175.05406 135.0
[M]+ 154.07884 128.2
[M]- 154.07994 128.2
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