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]+ 212.11900 141.5
[M+Na]+ 234.10094 146.8
[M-H]- 210.10444 139.3
[M+NH4]+ 229.14554 160.0
[M+K]+ 250.07488 147.1
[M+H-H2O]+ 194.10898 136.6
[M+HCOO]- 256.10992 156.0
[M+CH3COO]- 270.12557 181.2
[M+Na-2H]- 232.08639 147.1
[M]+ 211.11117 134.5
[M]- 211.11227 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.