CID 4260042

401818-78-8

Structural Information

Molecular Formula
C40H52B
SMILES
[B-](C1=CC=C(C=C1)C(C)(C)C)(C2=CC=C(C=C2)C(C)(C)C)(C3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)C(C)(C)C
InChI
InChI=1S/C40H52B/c1-37(2,3)29-13-21-33(22-14-29)41(34-23-15-30(16-24-34)38(4,5)6,35-25-17-31(18-26-35)39(7,8)9)36-27-19-32(20-28-36)40(10,11)12/h13-28H,1-12H3/q-1
InChIKey
MAVMANYPYTYUNZ-UHFFFAOYSA-N
Compound name
tetrakis(4-tert-butylphenyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

543.4162 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.423476 231.5
[M+Na]+ 566.405418 233.4
[M-H]- 542.408924 240.9
[M+NH4]+ 561.450023 235.9
[M+K]+ 582.379358 227.0
[M+H-H2O]+ 526.413460 222.5
[M+HCOO]- 588.414401 240.2
[M+CH3COO]- 602.430051 254.0
[M+Na-2H]- 564.390866 233.2
[M]+ 543.41565142 230.0
[M]- 543.41674858 230.0
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

patents stripe