CID 79990890

1535415-75-8

Structural Information

Molecular Formula
C9H10F2O2S
SMILES
CCOC(=O)C(C1=C(C=CS1)C)(F)F
InChI
InChI=1S/C9H10F2O2S/c1-3-13-8(12)9(10,11)7-6(2)4-5-14-7/h4-5H,3H2,1-2H3
InChIKey
ZSRYAIHYRLKNGE-UHFFFAOYSA-N
Compound name
ethyl 2,2-difluoro-2-(3-methylthiophen-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.03696 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.04424 150.8
[M+Na]+ 243.02618 158.7
[M+NH4]+ 238.07078 157.3
[M+K]+ 259.00012 153.9
[M-H]- 219.02968 148.1
[M+Na-2H]- 241.01163 153.0
[M]+ 220.03641 151.3
[M]- 220.03751 151.3
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.