CID 63703031

Akos013013912

Structural Information

Molecular Formula
C7H9BF3S
SMILES
[B-](CC1=CC=C(S1)CC)(F)(F)F
InChI
InChI=1S/C7H9BF3S/c1-2-6-3-4-7(12-6)5-8(9,10)11/h3-4H,2,5H2,1H3/q-1
InChIKey
CWYRLXCMBCWDKS-UHFFFAOYSA-N
Compound name
(5-ethylthiophen-2-yl)methyl-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.04701 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.05429 133.1
[M+Na]+ 216.03623 142.1
[M-H]- 192.03973 131.7
[M+NH4]+ 211.08083 154.6
[M+K]+ 232.01017 139.2
[M+H-H2O]+ 176.04427 128.2
[M+HCOO]- 238.04521 148.2
[M+CH3COO]- 252.06086 178.8
[M+Na-2H]- 214.02168 133.6
[M]+ 193.04646 129.4
[M]- 193.04756 129.4
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.