CID 131116499

2-(2-chlorothiophen-3-yl)-2-fluoroacetic acid

Structural Information

Molecular Formula
C6H4ClFO2S
SMILES
C1=CSC(=C1C(C(=O)O)F)Cl
InChI
InChI=1S/C6H4ClFO2S/c7-5-3(1-2-11-5)4(8)6(9)10/h1-2,4H,(H,9,10)
InChIKey
YHRGNCBOKPMHOM-UHFFFAOYSA-N
Compound name
2-(2-chlorothiophen-3-yl)-2-fluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.96045 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.967726 133.7
[M+Na]+ 216.949668 143.3
[M-H]- 192.953174 135.6
[M+NH4]+ 211.994273 155.7
[M+K]+ 232.923608 139.6
[M+H-H2O]+ 176.957710 129.3
[M+HCOO]- 238.958651 146.1
[M+CH3COO]- 252.974301 176.1
[M+Na-2H]- 214.935116 133.4
[M]+ 193.95990142 135.7
[M]- 193.96099858 135.7
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.