CID 165978310

En300-5478245

Structural Information

Molecular Formula
C7H13BF3O
SMILES
[B-](CC1(CCOCC1)C)(F)(F)F
InChI
InChI=1S/C7H13BF3O/c1-7(6-8(9,10)11)2-4-12-5-3-7/h2-6H2,1H3/q-1
InChIKey
FSDYYFUPEGJTNV-UHFFFAOYSA-N
Compound name
trifluoro-[(4-methyloxan-4-yl)methyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.10115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.108426 133.5
[M+Na]+ 204.090368 139.3
[M-H]- 180.093874 131.5
[M+NH4]+ 199.134973 153.3
[M+K]+ 220.064308 139.4
[M+H-H2O]+ 164.098410 129.0
[M+HCOO]- 226.099351 148.1
[M+CH3COO]- 240.115001 176.1
[M+Na-2H]- 202.075816 139.5
[M]+ 181.10060142 124.6
[M]- 181.10169858 124.6
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.