CID 138991504

2542181-73-5

Structural Information

Molecular Formula
C7H11BF3O
SMILES
[B-](C1CC12CCOCC2)(F)(F)F
InChI
InChI=1S/C7H11BF3O/c9-8(10,11)6-5-7(6)1-3-12-4-2-7/h6H,1-5H2/q-1
InChIKey
PHHRQXITIDVNBF-UHFFFAOYSA-N
Compound name
trifluoro(6-oxaspiro[2.5]octan-2-yl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.08551 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.09279 129.4
[M+Na]+ 202.07473 137.4
[M-H]- 178.07823 130.9
[M+NH4]+ 197.11933 144.8
[M+K]+ 218.04867 137.4
[M+H-H2O]+ 162.08277 124.0
[M+HCOO]- 224.08371 144.0
[M+CH3COO]- 238.09936 178.5
[M+Na-2H]- 200.06018 136.5
[M]+ 179.08496 123.0
[M]- 179.08606 123.0
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.