CID 45588206

1294455-24-5

Structural Information

Molecular Formula
C6H7BF3S
SMILES
[B-](C1=C(SC(=C1)C)C)(F)(F)F
InChI
InChI=1S/C6H7BF3S/c1-4-3-6(5(2)11-4)7(8,9)10/h3H,1-2H3/q-1
InChIKey
BUCHFTWFRKWQMZ-UHFFFAOYSA-N
Compound name
(2,5-dimethylthiophen-3-yl)-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.03136 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.03864 127.7
[M+Na]+ 202.02058 138.0
[M-H]- 178.02408 126.8
[M+NH4]+ 197.06518 150.1
[M+K]+ 217.99452 135.4
[M+H-H2O]+ 162.02862 123.3
[M+HCOO]- 224.02956 143.1
[M+CH3COO]- 238.04521 176.8
[M+Na-2H]- 200.00603 128.1
[M]+ 179.03081 124.0
[M]- 179.03191 124.0
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.