CID 74787646

1408168-76-2

Structural Information

Molecular Formula
C7H13BF3O2
SMILES
[B-](CCOC1CCCCO1)(F)(F)F
InChI
InChI=1S/C7H13BF3O2/c9-8(10,11)4-6-13-7-3-1-2-5-12-7/h7H,1-6H2/q-1
InChIKey
YAAOQIMYBBLOJL-UHFFFAOYSA-N
Compound name
trifluoro-[2-(oxan-2-yloxy)ethyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.09607 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.10335 137.3
[M+Na]+ 220.08529 142.2
[M-H]- 196.08879 134.9
[M+NH4]+ 215.12989 154.3
[M+K]+ 236.05923 142.3
[M+H-H2O]+ 180.09333 131.7
[M+HCOO]- 242.09427 152.1
[M+CH3COO]- 256.10992 178.6
[M+Na-2H]- 218.07074 142.2
[M]+ 197.09552 129.6
[M]- 197.09662 129.6
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.