CID 118451709

3-ethoxy-4,6-difluorodibenzothiophene

Structural Information

Molecular Formula
C14H10F2OS
SMILES
CCOC1=C(C2=C(C=C1)C3=C(S2)C(=CC=C3)F)F
InChI
InChI=1S/C14H10F2OS/c1-2-17-11-7-6-9-8-4-3-5-10(15)13(8)18-14(9)12(11)16/h3-7H,2H2,1H3
InChIKey
MMHOENQDGWCBNZ-UHFFFAOYSA-N
Compound name
3-ethoxy-4,6-difluorodibenzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

264.04205 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.04933 151.9
[M+Na]+ 287.03127 165.2
[M-H]- 263.03477 156.4
[M+NH4]+ 282.07587 174.2
[M+K]+ 303.00521 159.6
[M+H-H2O]+ 247.03931 145.1
[M+HCOO]- 309.04025 169.9
[M+CH3COO]- 323.05590 165.9
[M+Na-2H]- 285.01672 155.4
[M]+ 264.04150 157.0
[M]- 264.04260 157.0
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