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]+ 195.06485 130.6
[M+Na]+ 217.04679 138.5
[M-H]- 193.05029 123.2
[M+NH4]+ 212.09139 149.7
[M+K]+ 233.02073 138.2
[M+H-H2O]+ 177.05483 123.8
[M+HCOO]- 239.05577 146.2
[M+CH3COO]- 253.07142 186.2
[M+Na-2H]- 215.03224 134.8
[M]+ 194.05702 120.7
[M]- 194.05812 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.