CID 2782893

Potassium (4-cyanophenyl)trifluoroborate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
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

literature stripe

Patent stripe

patents stripe