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]+ 194.96773 133.7
[M+Na]+ 216.94967 143.3
[M-H]- 192.95317 135.6
[M+NH4]+ 211.99427 155.7
[M+K]+ 232.92361 139.6
[M+H-H2O]+ 176.95771 129.3
[M+HCOO]- 238.95865 146.1
[M+CH3COO]- 252.97430 176.1
[M+Na-2H]- 214.93512 133.4
[M]+ 193.95990 135.7
[M]- 193.96100 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.