CID 30070539

1006376-63-1

Structural Information

Molecular Formula
C8H6F2O
SMILES
C1[C@@H](O1)C2=CC(=C(C=C2)F)F
InChI
InChI=1S/C8H6F2O/c9-6-2-1-5(3-7(6)10)8-4-11-8/h1-3,8H,4H2/t8-/m1/s1
InChIKey
UNJRFWWCCAHSRB-MRVPVSSYSA-N
Compound name
(2S)-2-(3,4-difluorophenyl)oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

177
Patents

156.03867 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.045946 122.3
[M+Na]+ 179.027888 134.0
[M-H]- 155.031394 128.9
[M+NH4]+ 174.072493 137.7
[M+K]+ 195.001828 132.4
[M+H-H2O]+ 139.035930 114.3
[M+HCOO]- 201.036871 144.9
[M+CH3COO]- 215.052521 180.0
[M+Na-2H]- 177.013336 130.3
[M]+ 156.03812142 123.7
[M]- 156.03921858 123.7
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