CID 56655901

1357559-50-2

Structural Information

Molecular Formula
C7H12BF3NO
SMILES
[B-](C(=C)CN1CCOCC1)(F)(F)F
InChI
InChI=1S/C7H12BF3NO/c1-7(8(9,10)11)6-12-2-4-13-5-3-12/h1-6H2/q-1
InChIKey
SSICOUFRCIFUMJ-UHFFFAOYSA-N
Compound name
trifluoro(3-morpholin-4-ylprop-1-en-2-yl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.0964 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10368 137.3
[M+Na]+ 217.08562 142.3
[M-H]- 193.08912 133.5
[M+NH4]+ 212.13022 153.0
[M+K]+ 233.05956 141.7
[M+H-H2O]+ 177.09366 131.0
[M+HCOO]- 239.09460 149.8
[M+CH3COO]- 253.11025 179.1
[M+Na-2H]- 215.07107 141.0
[M]+ 194.09585 127.2
[M]- 194.09695 127.2
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.