CID 63703581

2603583-37-3

Structural Information

Molecular Formula
C4H7BF6N
SMILES
[B-](CN(C)CC(F)(F)F)(F)(F)F
InChI
InChI=1S/C4H7BF6N/c1-12(2-4(6,7)8)3-5(9,10)11/h2-3H2,1H3/q-1
InChIKey
QIRNDXJALVJMMZ-UHFFFAOYSA-N
Compound name
trifluoro-[[methyl(2,2,2-trifluoroethyl)amino]methyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.05757 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.064846 130.6
[M+Na]+ 217.046788 138.5
[M-H]- 193.050294 123.2
[M+NH4]+ 212.091393 149.7
[M+K]+ 233.020728 138.2
[M+H-H2O]+ 177.054830 123.8
[M+HCOO]- 239.055771 146.2
[M+CH3COO]- 253.071421 186.2
[M+Na-2H]- 215.032236 134.8
[M]+ 194.05702142 120.7
[M]- 194.05811858 120.7
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.