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]+ 183.081586 129.2
[M+Na]+ 205.063528 135.4
[M-H]- 181.067034 133.0
[M+NH4]+ 200.108133 147.3
[M+K]+ 221.037468 138.0
[M+H-H2O]+ 165.071570 124.6
[M+HCOO]- 227.072511 147.1
[M+CH3COO]- 241.088161 141.9
[M+Na-2H]- 203.048976 136.6
[M]+ 182.07376142 123.9
[M]- 182.07485858 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.