CID 11435114

2991-99-3

Structural Information

Molecular Formula
C6H4F2OS
SMILES
C1=CSC(=C1)C(=O)C(F)F
InChI
InChI=1S/C6H4F2OS/c7-6(8)5(9)4-2-1-3-10-4/h1-3,6H
InChIKey
KKCYEHQMOZGAMC-UHFFFAOYSA-N
Compound name
2,2-difluoro-1-thiophen-2-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.99509 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.00237 127.5
[M+Na]+ 184.98431 136.2
[M-H]- 160.98781 129.1
[M+NH4]+ 180.02891 150.3
[M+K]+ 200.95825 134.5
[M+H-H2O]+ 144.99235 120.8
[M+HCOO]- 206.99329 144.7
[M+CH3COO]- 221.00894 174.6
[M+Na-2H]- 182.96976 128.0
[M]+ 161.99454 126.6
[M]- 161.99564 126.6
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.