CID 165941806

En300-27750827

Structural Information

Molecular Formula
C7H11BF5
SMILES
[B-](C1CCCCC(C1)(F)F)(F)(F)F
InChI
InChI=1S/C7H11BF5/c9-7(10)4-2-1-3-6(5-7)8(11,12)13/h6H,1-5H2/q-1
InChIKey
QMEFAPMTEPREEH-UHFFFAOYSA-N
Compound name
(3,3-difluorocycloheptyl)-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.0874 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.09468 123.0
[M+Na]+ 224.07662 127.9
[M-H]- 200.08012 119.6
[M+NH4]+ 219.12122 141.9
[M+K]+ 240.05056 129.7
[M+H-H2O]+ 184.08466 117.8
[M+HCOO]- 246.08560 136.0
[M+CH3COO]- 260.10125 183.1
[M+Na-2H]- 222.06207 126.7
[M]+ 201.08685 107.7
[M]- 201.08795 107.7
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.