CID 607519

2-amino-3,5,6-trifluoroterephthalonitrile

Structural Information

Molecular Formula
C8H2F3N3
SMILES
C(#N)C1=C(C(=C(C(=C1F)F)C#N)F)N
InChI
InChI=1S/C8H2F3N3/c9-5-3(1-12)7(11)8(14)4(2-13)6(5)10/h14H2
InChIKey
JJQQOCSLHWPLLT-UHFFFAOYSA-N
Compound name
2-amino-3,5,6-trifluorobenzene-1,4-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

197.02008 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.02736 143.1
[M+Na]+ 220.00930 154.5
[M-H]- 196.01280 144.3
[M+NH4]+ 215.05390 155.8
[M+K]+ 235.98324 151.6
[M+H-H2O]+ 180.01734 127.2
[M+HCOO]- 242.01828 154.9
[M+CH3COO]- 256.03393 219.2
[M+Na-2H]- 217.99475 143.9
[M]+ 197.01953 132.2
[M]- 197.02063 132.2
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