CID 379830

2,3-difluoro-4,7-methano-5,6-dihydrobenzo(b)thiophene

Structural Information

Molecular Formula
C9H8F2S
SMILES
C1CC2CC1C3=C2SC(=C3F)F
InChI
InChI=1S/C9H8F2S/c10-7-6-4-1-2-5(3-4)8(6)12-9(7)11/h4-5H,1-3H2
InChIKey
AZGCQKXBHQVHFX-UHFFFAOYSA-N
Compound name
4,5-difluoro-3-thiatricyclo[5.2.1.02,6]deca-2(6),4-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.03148 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.03876 136.7
[M+Na]+ 209.02070 148.8
[M-H]- 185.02420 139.8
[M+NH4]+ 204.06530 166.0
[M+K]+ 224.99464 145.7
[M+H-H2O]+ 169.02874 133.2
[M+HCOO]- 231.02968 153.4
[M+CH3COO]- 245.04533 151.5
[M+Na-2H]- 207.00615 136.4
[M]+ 186.03093 138.2
[M]- 186.03203 138.2
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.