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

30
Patents

391.9945 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.00178 180.8
[M+Na]+ 414.98372 190.0
[M-H]- 390.98722 188.5
[M+NH4]+ 410.02832 193.4
[M+K]+ 430.95766 183.6
[M+H-H2O]+ 374.99176 173.5
[M+HCOO]- 436.99270 189.4
[M+CH3COO]- 451.00835 191.2
[M+Na-2H]- 412.96917 183.3
[M]+ 391.99395 188.0
[M]- 391.99505 188.0
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