CID 4534987

54512-39-9

Structural Information

Molecular Formula
C24H16BCl4
SMILES
[B-](C1=CC(=CC=C1)Cl)(C2=CC(=CC=C2)Cl)(C3=CC(=CC=C3)Cl)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C24H16BCl4/c26-21-9-1-5-17(13-21)25(18-6-2-10-22(27)14-18,19-7-3-11-23(28)15-19)20-8-4-12-24(29)16-20/h1-16H/q-1
InChIKey
VMRRFTUAQNSALB-UHFFFAOYSA-N
Compound name
tetrakis(3-chlorophenyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

455.00992 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.01720 203.8
[M+Na]+ 477.99914 211.2
[M-H]- 454.00264 209.2
[M+NH4]+ 473.04374 212.3
[M+K]+ 493.97308 202.1
[M+H-H2O]+ 438.00718 196.4
[M+HCOO]- 500.00812 203.3
[M+CH3COO]- 514.02377 210.3
[M+Na-2H]- 475.98459 202.7
[M]+ 455.00937 204.0
[M]- 455.01047 204.0
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