CID 25058170

194235-40-0

Structural Information

Molecular Formula
C19H19BF2N2
SMILES
[B-]1(N2C(=CC(=C2C(=C3[N+]1=C(C=C3C)C)C4=CC=CC=C4)C)C)(F)F
InChI
InChI=1S/C19H19BF2N2/c1-12-10-14(3)23-18(12)17(16-8-6-5-7-9-16)19-13(2)11-15(4)24(19)20(23,21)22/h5-11H,1-4H3
InChIKey
QFNRXPJMRSOECW-UHFFFAOYSA-N
Compound name
2,2-difluoro-4,6,10,12-tetramethyl-8-phenyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.16095 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.16823 175.3
[M+Na]+ 347.15017 188.1
[M-H]- 323.15367 179.4
[M+NH4]+ 342.19477 194.7
[M+K]+ 363.12411 175.3
[M+H-H2O]+ 307.15821 170.8
[M+HCOO]- 369.15915 193.0
[M+CH3COO]- 383.17480 203.5
[M+Na-2H]- 345.13562 176.9
[M]+ 324.16040 173.6
[M]- 324.16150 173.6
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

No patent data available for this compound.