CID 21766889

3,4-difluorothiophene

Structural Information

Molecular Formula
C4H2F2S
SMILES
C1=C(C(=CS1)F)F
InChI
InChI=1S/C4H2F2S/c5-3-1-7-2-4(3)6/h1-2H
InChIKey
UGIBDPMYKKYHTB-UHFFFAOYSA-N
Compound name
3,4-difluorothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

238
Patents

119.98453 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.99181 113.5
[M+Na]+ 142.97375 124.4
[M-H]- 118.97725 115.7
[M+NH4]+ 138.01835 138.7
[M+K]+ 158.94769 122.6
[M+H-H2O]+ 102.98179 107.6
[M+HCOO]- 164.98273 133.0
[M+CH3COO]- 178.99838 167.1
[M+Na-2H]- 140.95920 116.7
[M]+ 119.98398 112.8
[M]- 119.98508 112.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe