CID 7954

Cyanuric chloride

Structural Information

Molecular Formula
C3Cl3N3
SMILES
C1(=NC(=NC(=N1)Cl)Cl)Cl
InChI
InChI=1S/C3Cl3N3/c4-1-7-2(5)9-3(6)8-1
InChIKey
MGNCLNQXLYJVJD-UHFFFAOYSA-N
Compound name
2,4,6-trichloro-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

237
References

73735
Patents

182.91579 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.92307 125.3
[M+Na]+ 205.90501 137.4
[M-H]- 181.90851 123.3
[M+NH4]+ 200.94961 142.5
[M+K]+ 221.87895 132.9
[M+H-H2O]+ 165.91305 119.3
[M+HCOO]- 227.91399 132.0
[M+CH3COO]- 241.92964 138.0
[M+Na-2H]- 203.89046 132.7
[M]+ 182.91524 127.2
[M]- 182.91634 127.2
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