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

44
Patents

543.4162 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.42348 231.5
[M+Na]+ 566.40542 233.4
[M-H]- 542.40892 240.9
[M+NH4]+ 561.45002 235.9
[M+K]+ 582.37936 227.0
[M+H-H2O]+ 526.41346 222.5
[M+HCOO]- 588.41440 240.2
[M+CH3COO]- 602.43005 254.0
[M+Na-2H]- 564.39087 233.2
[M]+ 543.41565 230.0
[M]- 543.41675 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