CID 12664

Cyanuric fluoride

Structural Information

Molecular Formula
C3F3N3
SMILES
C1(=NC(=NC(=N1)F)F)F
InChI
InChI=1S/C3F3N3/c4-1-7-2(5)9-3(6)8-1
InChIKey
VMKJWLXVLHBJNK-UHFFFAOYSA-N
Compound name
2,4,6-trifluoro-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

11
References

6023
Patents

135.00443 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.01171 117.3
[M+Na]+ 157.99365 129.4
[M-H]- 133.99715 113.8
[M+NH4]+ 153.03825 135.5
[M+K]+ 173.96759 127.2
[M+H-H2O]+ 118.00169 107.7
[M+HCOO]- 180.00263 136.6
[M+CH3COO]- 194.01828 172.1
[M+Na-2H]- 155.97910 125.7
[M]+ 135.00388 113.9
[M]- 135.00498 113.9
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