CID 16679984

21658-70-8

Structural Information

Molecular Formula
C13H15BF2N2
SMILES
[B-]1(N2C(=CC(=C2C=C3[N+]1=C(C=C3C)C)C)C)(F)F
InChI
InChI=1S/C13H15BF2N2/c1-8-5-10(3)17-12(8)7-13-9(2)6-11(4)18(13)14(17,15)16/h5-7H,1-4H3
InChIKey
TWYZTUZOEQTCOO-UHFFFAOYSA-N
Compound name
2,2-difluoro-4,6,10,12-tetramethyl-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

1
References

1
Patents

248.12964 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.13692 151.0
[M+Na]+ 271.11886 164.7
[M+NH4]+ 266.16346 160.7
[M+K]+ 287.09280 161.0
[M-H]- 247.12236 151.3
[M+Na-2H]- 269.10431 155.1
[M]+ 248.12909 153.1
[M]- 248.13019 153.1
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