CID 70274

2,4,6-trichloroborazine

Structural Information

Molecular Formula
B3Cl3H3N3
SMILES
B1(NB(NB(N1)Cl)Cl)Cl
InChI
InChI=1S/B3Cl3H3N3/c4-1-7-2(5)9-3(6)8-1/h7-9H
InChIKey
IJXPQKHXJCOFGH-UHFFFAOYSA-N
Compound name
2,4,6-trichloro-1,3,5,2,4,6-triazatriborinane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

167
Patents

182.96718 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.97446 127.8
[M+Na]+ 205.95640 135.9
[M-H]- 181.95990 121.0
[M+NH4]+ 201.00100 142.8
[M+K]+ 221.93034 129.8
[M+H-H2O]+ 165.96444 123.0
[M+HCOO]- 227.96538 126.5
[M+CH3COO]- 241.98103 137.2
[M+Na-2H]- 203.94185 131.3
[M]+ 182.96663 120.0
[M]- 182.96773 120.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe