CID 165943658

En300-28227421

Structural Information

Molecular Formula
C4H8BClF3
SMILES
[B-](CC(C)CCl)(F)(F)F
InChI
InChI=1S/C4H8BClF3/c1-4(3-6)2-5(7,8)9/h4H,2-3H2,1H3/q-1
InChIKey
NMTCWJIJGBBBQN-UHFFFAOYSA-N
Compound name
(3-chloro-2-methylpropyl)-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.03596 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.04324 124.9
[M+Na]+ 182.02518 133.2
[M-H]- 158.02868 119.6
[M+NH4]+ 177.06978 146.1
[M+K]+ 197.99912 130.9
[M+H-H2O]+ 142.03322 122.0
[M+HCOO]- 204.03416 138.3
[M+CH3COO]- 218.04981 174.2
[M+Na-2H]- 180.01063 128.9
[M]+ 159.03541 120.5
[M]- 159.03651 120.5
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

No patent data available for this compound.