CID 5257871

Ns00114984

Structural Information

Molecular Formula
CH3BF3
SMILES
[B-](C)(F)(F)F
InChI
InChI=1S/CH3BF3/c1-2(3,4)5/h1H3/q-1
InChIKey
LWDVCEGDWIJDJC-UHFFFAOYSA-N
Compound name
trifluoro(methyl)boranuide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

546
Patents

83.02799 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 84.035266 105.2
[M+Na]+ 106.01721 114.4
[M-H]- 82.020714 100.7
[M+NH4]+ 101.06181 128.7
[M+K]+ 121.99115 114.7
[M+H-H2O]+ 66.025250 102.1
[M+HCOO]- 128.02619 125.1
[M+CH3COO]- 142.04184 160.4
[M+Na-2H]- 104.00266 112.6
[M]+ 83.027441 98.5
[M]- 83.028539 98.5
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

patents stripe