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]+ 182.10843 133.5
[M+Na]+ 204.09037 139.3
[M-H]- 180.09387 131.5
[M+NH4]+ 199.13497 153.3
[M+K]+ 220.06431 139.4
[M+H-H2O]+ 164.09841 129.0
[M+HCOO]- 226.09935 148.1
[M+CH3COO]- 240.11500 176.1
[M+Na-2H]- 202.07582 139.5
[M]+ 181.10060 124.6
[M]- 181.10170 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.