CID 64775100

1204187-06-3

Structural Information

Molecular Formula
C7H13BF3
SMILES
[B-](C1CCC(CC1)C)(F)(F)F
InChI
InChI=1S/C7H13BF3/c1-6-2-4-7(5-3-6)8(9,10)11/h6-7H,2-5H2,1H3/q-1
InChIKey
BTBXYASMFGNXIA-UHFFFAOYSA-N
Compound name
trifluoro-(4-methylcyclohexyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.10625 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.113526 130.4
[M+Na]+ 188.095468 136.2
[M-H]- 164.098974 127.8
[M+NH4]+ 183.140073 150.4
[M+K]+ 204.069408 134.6
[M+H-H2O]+ 148.103510 125.5
[M+HCOO]- 210.104451 145.6
[M+CH3COO]- 224.120101 175.8
[M+Na-2H]- 186.080916 133.5
[M]+ 165.10570142 119.5
[M]- 165.10679858 119.5
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.