CID 18999173

1321901-82-9

Structural Information

Molecular Formula
C5H7BO3S
SMILES
B(C1=CC(=CS1)OC)(O)O
InChI
InChI=1S/C5H7BO3S/c1-9-4-2-5(6(7)8)10-3-4/h2-3,7-8H,1H3
InChIKey
CUAGIWSIHSSBRU-UHFFFAOYSA-N
Compound name
(4-methoxythiophen-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

158.02089 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.02817 129.1
[M+Na]+ 181.01011 137.6
[M-H]- 157.01361 130.8
[M+NH4]+ 176.05471 151.1
[M+K]+ 196.98405 135.9
[M+H-H2O]+ 141.01815 124.7
[M+HCOO]- 203.01909 146.7
[M+CH3COO]- 217.03474 168.4
[M+Na-2H]- 178.99556 130.6
[M]+ 158.02034 131.2
[M]- 158.02144 131.2
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