CID 11858699

Potassium 5-formylthiophen-3-yltrifluoroborate

Structural Information

Molecular Formula
C5H3BF3OS
SMILES
[B-](C1=CSC(=C1)C=O)(F)(F)F
InChI
InChI=1S/C5H3BF3OS/c7-6(8,9)4-1-5(2-10)11-3-4/h1-3H/q-1
InChIKey
FXLBOOMEUNDOJV-UHFFFAOYSA-N
Compound name
trifluoro-(5-formylthiophen-3-yl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.99498 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.00226 126.8
[M+Na]+ 201.98420 136.8
[M-H]- 177.98770 125.7
[M+NH4]+ 197.02880 148.7
[M+K]+ 217.95814 134.2
[M+H-H2O]+ 161.99224 122.2
[M+HCOO]- 223.99318 142.9
[M+CH3COO]- 238.00883 173.7
[M+Na-2H]- 199.96965 128.4
[M]+ 178.99443 123.1
[M]- 178.99553 123.1
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.