CID 91667294

1622923-36-7

Structural Information

Molecular Formula
C5H11BF3NS
SMILES
[B-](C(=[N+](C)C)SCC)(F)(F)F
InChI
InChI=1S/C5H11BF3NS/c1-4-11-5(10(2)3)6(7,8)9/h4H2,1-3H3
InChIKey
FOEJEMWJAWZDLW-UHFFFAOYSA-N
Compound name
[dimethylazaniumylidene(ethylsulfanyl)methyl]-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.06573 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07301 130.2
[M+Na]+ 208.05495 137.0
[M-H]- 184.05845 126.8
[M+NH4]+ 203.09955 150.1
[M+K]+ 224.02889 130.7
[M+H-H2O]+ 168.06299 127.9
[M+HCOO]- 230.06393 143.8
[M+CH3COO]- 244.07958 176.2
[M+Na-2H]- 206.04040 132.8
[M]+ 185.06518 124.2
[M]- 185.06628 124.2
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

No patent data available for this compound.