CID 64981309

9-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol

Structural Information

Molecular Formula
C10H11FO2
SMILES
C1CC(C2=C(C(=CC=C2)F)OC1)O
InChI
InChI=1S/C10H11FO2/c11-8-4-1-3-7-9(12)5-2-6-13-10(7)8/h1,3-4,9,12H,2,5-6H2
InChIKey
QSNJRSCASWPUDK-UHFFFAOYSA-N
Compound name
9-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.07431 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.08159 129.2
[M+Na]+ 205.06353 135.4
[M-H]- 181.06703 133.0
[M+NH4]+ 200.10813 147.3
[M+K]+ 221.03747 138.0
[M+H-H2O]+ 165.07157 124.6
[M+HCOO]- 227.07251 147.1
[M+CH3COO]- 241.08816 141.9
[M+Na-2H]- 203.04898 136.6
[M]+ 182.07376 123.9
[M]- 182.07486 123.9
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

No patent data available for this compound.