CID 46703108

Methyl 5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate

Structural Information

Molecular Formula
C12H16BClO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(SC(=C2)C(=O)OC)Cl
InChI
InChI=1S/C12H16BClO4S/c1-11(2)12(3,4)18-13(17-11)7-6-8(10(15)16-5)19-9(7)14/h6H,1-5H3
InChIKey
CYZLLPLZAMTANF-UHFFFAOYSA-N
Compound name
methyl 5-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.05508 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.06236 159.2
[M+Na]+ 325.04430 170.3
[M-H]- 301.04780 168.7
[M+NH4]+ 320.08890 181.5
[M+K]+ 341.01824 169.6
[M+H-H2O]+ 285.05234 158.3
[M+HCOO]- 347.05328 171.5
[M+CH3COO]- 361.06893 198.4
[M+Na-2H]- 323.02975 160.1
[M]+ 302.05453 168.9
[M]- 302.05563 168.9
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.