CID 165700030

En300-26871570

Structural Information

Molecular Formula
C8H15BF3O2
SMILES
[B-](CC1(CCOCC1)COC)(F)(F)F
InChI
InChI=1S/C8H15BF3O2/c1-13-7-8(6-9(10,11)12)2-4-14-5-3-8/h2-7H2,1H3/q-1
InChIKey
ZLHDOTCRKRYVSF-UHFFFAOYSA-N
Compound name
trifluoro-[[4-(methoxymethyl)oxan-4-yl]methyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.11172 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.118996 141.5
[M+Na]+ 234.100938 146.8
[M-H]- 210.104444 139.3
[M+NH4]+ 229.145543 160.0
[M+K]+ 250.074878 147.1
[M+H-H2O]+ 194.108980 136.6
[M+HCOO]- 256.109921 156.0
[M+CH3COO]- 270.125571 181.2
[M+Na-2H]- 232.086386 147.1
[M]+ 211.11117142 134.5
[M]- 211.11226858 134.5
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.