CID 3506624

Potassium benzyltrifluoroboranuide

Structural Information

Molecular Formula
C7H7BF3
SMILES
[B-](CC1=CC=CC=C1)(F)(F)F
InChI
InChI=1S/C7H7BF3/c9-8(10,11)6-7-4-2-1-3-5-7/h1-5H,6H2/q-1
InChIKey
XPWOXPAWEYKWCG-UHFFFAOYSA-N
Compound name
benzyl(trifluoro)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

232
Patents

159.0593 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.066576 123.8
[M+Na]+ 182.048518 131.9
[M-H]- 158.052024 121.9
[M+NH4]+ 177.093123 144.0
[M+K]+ 198.022458 129.5
[M+H-H2O]+ 142.056560 118.7
[M+HCOO]- 204.057501 143.5
[M+CH3COO]- 218.073151 173.7
[M+Na-2H]- 180.033966 130.7
[M]+ 159.05875142 117.0
[M]- 159.05984858 117.0
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