CID 14766991

121207-31-6

Structural Information

Molecular Formula
C14H17BF2N2
SMILES
[B-]1(N2C(=CC(=C2C(=C3[N+]1=C(C=C3C)C)C)C)C)(F)F
InChI
InChI=1S/C14H17BF2N2/c1-8-6-10(3)18-13(8)12(5)14-9(2)7-11(4)19(14)15(18,16)17/h6-7H,1-5H3
InChIKey
DRJHPEGNOPSARR-UHFFFAOYSA-N
Compound name
2,2-difluoro-4,6,8,10,12-pentamethyl-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

4
References

51
Patents

262.1453 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.15258 156.3
[M+Na]+ 285.13452 170.3
[M-H]- 261.13802 157.4
[M+NH4]+ 280.17912 178.8
[M+K]+ 301.10846 159.4
[M+H-H2O]+ 245.14256 154.2
[M+HCOO]- 307.14350 174.4
[M+CH3COO]- 321.15915 192.9
[M+Na-2H]- 283.11997 159.1
[M]+ 262.14475 155.3
[M]- 262.14585 155.3
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