CID 12745042

2,4,6-trifluorobenzene-1,3,5-tricarbonitrile

Structural Information

Molecular Formula
C9F3N3
SMILES
C(#N)C1=C(C(=C(C(=C1F)C#N)F)C#N)F
InChI
InChI=1S/C9F3N3/c10-7-4(1-13)8(11)6(3-15)9(12)5(7)2-14
InChIKey
LWTFYBZNGZGGRD-UHFFFAOYSA-N
Compound name
2,4,6-trifluorobenzene-1,3,5-tricarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

207.00443 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.01171 154.7
[M+Na]+ 229.99365 163.4
[M-H]- 205.99715 157.4
[M+NH4]+ 225.03825 162.3
[M+K]+ 245.96759 160.8
[M+H-H2O]+ 190.00169 141.4
[M+HCOO]- 252.00263 160.0
[M+CH3COO]- 266.01828 236.1
[M+Na-2H]- 227.97910 153.6
[M]+ 207.00388 146.0
[M]- 207.00498 146.0
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