CID 2782879

Potassium (3-cyanophenyl)trifluoroborate

Structural Information

Molecular Formula
C7H4BF3N
SMILES
[B-](C1=CC(=CC=C1)C#N)(F)(F)F
InChI
InChI=1S/C7H4BF3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H/q-1
InChIKey
IRMKDSYQRORFQE-UHFFFAOYSA-N
Compound name
(3-cyanophenyl)-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

170.0389 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.04618 128.2
[M+Na]+ 193.02812 138.7
[M-H]- 169.03162 126.6
[M+NH4]+ 188.07272 146.0
[M+K]+ 209.00206 135.5
[M+H-H2O]+ 153.03616 116.6
[M+HCOO]- 215.03710 144.6
[M+CH3COO]- 229.05275 188.6
[M+Na-2H]- 191.01357 133.7
[M]+ 170.03835 117.2
[M]- 170.03945 117.2
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.