CID 72213201

[2-chloro-5-(trifluoromethyl)thiophen-3-yl]boronic acid

Structural Information

Molecular Formula
C5H3BClF3O2S
SMILES
B(C1=C(SC(=C1)C(F)(F)F)Cl)(O)O
InChI
InChI=1S/C5H3BClF3O2S/c7-4-2(6(11)12)1-3(13-4)5(8,9)10/h1,11-12H
InChIKey
MXNKNPBEDLDSIX-UHFFFAOYSA-N
Compound name
[2-chloro-5-(trifluoromethyl)thiophen-3-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

229.95874 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.96602 135.7
[M+Na]+ 252.94796 146.1
[M-H]- 228.95146 133.9
[M+NH4]+ 247.99256 155.9
[M+K]+ 268.92190 141.4
[M+H-H2O]+ 212.95600 130.3
[M+HCOO]- 274.95694 144.0
[M+CH3COO]- 288.97259 179.3
[M+Na-2H]- 250.93341 135.7
[M]+ 229.95819 134.6
[M]- 229.95929 134.6
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

patents stripe