CID 165941172

En300-28311058

Structural Information

Molecular Formula
C7H12BF4O
SMILES
[B-](CC1(CCOCC1)CF)(F)(F)F
InChI
InChI=1S/C7H12BF4O/c9-6-7(5-8(10,11)12)1-3-13-4-2-7/h1-6H2/q-1
InChIKey
FELXXKIMXAKYSE-UHFFFAOYSA-N
Compound name
trifluoro-[[4-(fluoromethyl)oxan-4-yl]methyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.09174 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.09902 136.3
[M+Na]+ 222.08096 142.2
[M-H]- 198.08446 133.0
[M+NH4]+ 217.12556 155.3
[M+K]+ 238.05490 141.8
[M+H-H2O]+ 182.08900 130.8
[M+HCOO]- 244.08994 149.9
[M+CH3COO]- 258.10559 179.1
[M+Na-2H]- 220.06641 141.7
[M]+ 199.09119 126.2
[M]- 199.09229 126.2
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.