CID 457792

4,4-dibromo-tetramethyl-[?]

Structural Information

Molecular Formula
C10H16B2Br2N4
SMILES
[B-]1(N2C=C(C=[N+]2[B-](N3[N+]1=CC(=C3)Br)(C)C)Br)(C)C
InChI
InChI=1S/C10H16B2Br2N4/c1-11(2)15-5-9(13)7-17(15)12(3,4)18-8-10(14)6-16(11)18/h5-8H,1-4H3
InChIKey
XSVIVCSHJDIRIR-UHFFFAOYSA-N
Compound name
5,11-dibromo-2,2,8,8-tetramethyl-3,9-diaza-1,7-diazonia-2,8-diboranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,10-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.99277 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.00005 169.2
[M+Na]+ 394.98199 183.2
[M-H]- 370.98549 173.7
[M+NH4]+ 390.02659 188.7
[M+K]+ 410.95593 161.6
[M+H-H2O]+ 354.99003 184.5
[M+HCOO]- 416.99097 181.2
[M+CH3COO]- 431.00662 201.7
[M+Na-2H]- 392.96744 177.9
[M]+ 371.99222 202.4
[M]- 371.99332 202.4
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.