CID 165945760

En300-33037582

Structural Information

Molecular Formula
C6H9BF5
SMILES
[B-](CC1(CCC1)C(F)F)(F)(F)F
InChI
InChI=1S/C6H9BF5/c8-5(9)6(2-1-3-6)4-7(10,11)12/h5H,1-4H2/q-1
InChIKey
IDOCYWUAQWQADY-UHFFFAOYSA-N
Compound name
[1-(difluoromethyl)cyclobutyl]methyl-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.07175 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.07903 133.8
[M+Na]+ 210.06097 140.1
[M-H]- 186.06447 129.5
[M+NH4]+ 205.10557 148.3
[M+K]+ 226.03491 141.3
[M+H-H2O]+ 170.06901 123.9
[M+HCOO]- 232.06995 147.5
[M+CH3COO]- 246.08560 183.1
[M+Na-2H]- 208.04642 136.7
[M]+ 187.07120 132.0
[M]- 187.07230 132.0
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.