CID 138399484

Boron, (4-chlorobenzenamine-.kappa.n)trifluoro-, (t-4)-

Structural Information

Molecular Formula
C6H5BClF3N
SMILES
[B-](NC1=CC=C(C=C1)Cl)(F)(F)F
InChI
InChI=1S/C6H5BClF3N/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4,12H/q-1
InChIKey
UTPRRIFPGPVWIF-UHFFFAOYSA-N
Compound name
(4-chloroanilino)-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

194.01556 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.02284 129.5
[M+Na]+ 217.00478 138.6
[M-H]- 193.00828 127.6
[M+NH4]+ 212.04938 149.0
[M+K]+ 232.97872 134.3
[M+H-H2O]+ 177.01282 125.0
[M+HCOO]- 239.01376 145.8
[M+CH3COO]- 253.02941 180.1
[M+Na-2H]- 214.99023 135.9
[M]+ 194.01501 123.9
[M]- 194.01611 123.9
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.