CID 616257

651-83-2

Structural Information

Molecular Formula
C7H2F7N
SMILES
C1(=C(C(=C(C(=C1F)F)N)F)F)C(F)(F)F
InChI
InChI=1S/C7H2F7N/c8-2-1(7(12,13)14)3(9)5(11)6(15)4(2)10/h15H2
InChIKey
FJOACTZFMHZHSC-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

179
Patents

233.00755 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.01483 137.9
[M+Na]+ 255.99677 150.8
[M-H]- 232.00027 133.8
[M+NH4]+ 251.04137 156.1
[M+K]+ 271.97071 146.4
[M+H-H2O]+ 216.00481 127.4
[M+HCOO]- 278.00575 154.2
[M+CH3COO]- 292.02140 195.0
[M+Na-2H]- 253.98222 139.2
[M]+ 233.00700 127.8
[M]- 233.00810 127.8
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