CID 19886355

135634-27-4

Structural Information

Molecular Formula
C9H9FO2
SMILES
C1C(OC2=C1C=C(C=C2)F)CO
InChI
InChI=1S/C9H9FO2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-3,8,11H,4-5H2
InChIKey
JKKNMRDEZXPJCQ-UHFFFAOYSA-N
Compound name
(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

168.05865 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06593 130.3
[M+Na]+ 191.04787 139.6
[M-H]- 167.05137 133.3
[M+NH4]+ 186.09247 152.1
[M+K]+ 207.02181 137.9
[M+H-H2O]+ 151.05591 125.0
[M+HCOO]- 213.05685 151.1
[M+CH3COO]- 227.07250 175.4
[M+Na-2H]- 189.03332 136.8
[M]+ 168.05810 129.6
[M]- 168.05920 129.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe