CID 58297459

1207314-85-9

Structural Information

Molecular Formula
C10H5F10N
SMILES
C1=CC(=C(C=C1C(C(F)(F)F)(C(F)(F)F)F)C(F)(F)F)N
InChI
InChI=1S/C10H5F10N/c11-7(9(15,16)17,10(18,19)20)4-1-2-6(21)5(3-4)8(12,13)14/h1-3H,21H2
InChIKey
JNVWIZVZNZAVRK-UHFFFAOYSA-N
Compound name
4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

179
Patents

329.02625 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.03353 162.1
[M+Na]+ 352.01547 172.4
[M-H]- 328.01897 153.8
[M+NH4]+ 347.06007 175.4
[M+K]+ 367.98941 167.6
[M+H-H2O]+ 312.02351 149.2
[M+HCOO]- 374.02445 169.4
[M+CH3COO]- 388.04010 209.6
[M+Na-2H]- 350.00092 164.6
[M]+ 329.02570 145.7
[M]- 329.02680 145.7
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