CID 165595355

En300-4512942

Structural Information

Molecular Formula
C6H9BF5
SMILES
[B-](CC1CCC(C1)(F)F)(F)(F)F
InChI
InChI=1S/C6H9BF5/c8-6(9)2-1-5(3-6)4-7(10,11)12/h5H,1-4H2/q-1
InChIKey
UYAMGTCYULSHLY-UHFFFAOYSA-N
Compound name
(3,3-difluorocyclopentyl)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 130.4
[M+Na]+ 210.06097 138.5
[M-H]- 186.06447 125.8
[M+NH4]+ 205.10557 153.0
[M+K]+ 226.03491 136.4
[M+H-H2O]+ 170.06901 124.9
[M+HCOO]- 232.06995 145.9
[M+CH3COO]- 246.08560 178.1
[M+Na-2H]- 208.04642 133.0
[M]+ 187.07120 119.0
[M]- 187.07230 119.0
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.