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

12
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

patents stripe