CID 21427

Tris(2-chlorophenyl) borate

Structural Information

Molecular Formula
C18H12BCl3O3
SMILES
B(OC1=CC=CC=C1Cl)(OC2=CC=CC=C2Cl)OC3=CC=CC=C3Cl
InChI
InChI=1S/C18H12BCl3O3/c20-13-7-1-4-10-16(13)23-19(24-17-11-5-2-8-14(17)21)25-18-12-6-3-9-15(18)22/h1-12H
InChIKey
JNEZJAAADKQBBD-UHFFFAOYSA-N
Compound name
tris(2-chlorophenyl) borate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

391.9945 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.00178 185.5
[M+Na]+ 414.98372 204.0
[M+NH4]+ 410.02832 194.8
[M+K]+ 430.95766 193.3
[M-H]- 390.98722 192.0
[M+Na-2H]- 412.96917 196.8
[M]+ 391.99395 191.3
[M]- 391.99505 191.3
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

patents stripe