CID 381645

Nsc668464

Structural Information

Molecular Formula
C27H32BBr
SMILES
B(C1=CC=CC=C1)(C2=CC=CC=C2)C3=C(C(=C(C=C3C(C)C)C(C)C)Br)C(C)C
InChI
InChI=1S/C27H32BBr/c1-18(2)23-17-24(19(3)4)27(29)25(20(5)6)26(23)28(21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-20H,1-6H3
InChIKey
VLHVQWRSMUIPQO-UHFFFAOYSA-N
Compound name
[3-bromo-2,4,6-tri(propan-2-yl)phenyl]-diphenylborane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.17804 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.18532 206.8
[M+Na]+ 469.16726 213.5
[M-H]- 445.17076 217.5
[M+NH4]+ 464.21186 219.6
[M+K]+ 485.14120 200.7
[M+H-H2O]+ 429.17530 203.9
[M+HCOO]- 491.17624 221.2
[M+CH3COO]- 505.19189 233.6
[M+Na-2H]- 467.15271 203.1
[M]+ 446.17749 225.3
[M]- 446.17859 225.3
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.