CID 74787642

1408168-78-4

Structural Information

Molecular Formula
C6H11BF3O
SMILES
[B-](CC1CCCCO1)(F)(F)F
InChI
InChI=1S/C6H11BF3O/c8-7(9,10)5-6-3-1-2-4-11-6/h6H,1-5H2/q-1
InChIKey
WDRHNFQSYXGLLO-UHFFFAOYSA-N
Compound name
trifluoro(oxan-2-ylmethyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.08551 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.09279 129.3
[M+Na]+ 190.07473 134.6
[M-H]- 166.07823 127.1
[M+NH4]+ 185.11933 147.6
[M+K]+ 206.04867 134.6
[M+H-H2O]+ 150.08277 124.2
[M+HCOO]- 212.08371 144.2
[M+CH3COO]- 226.09936 173.5
[M+Na-2H]- 188.06018 134.7
[M]+ 167.08496 119.8
[M]- 167.08606 119.8
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.