CID 58297558

2-bromo-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-6-(trifluoromethyl)benzenamine

Structural Information

Molecular Formula
C10H4BrF10N
SMILES
C1=C(C=C(C(=C1C(F)(F)F)N)Br)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C10H4BrF10N/c11-5-2-3(1-4(6(5)22)8(13,14)15)7(12,9(16,17)18)10(19,20)21/h1-2H,22H2
InChIKey
OVNMDSWQBKOQBF-UHFFFAOYSA-N
Compound name
2-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

205
Patents

406.93674 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.94402 187.3
[M+Na]+ 429.92596 200.8
[M-H]- 405.92946 182.1
[M+NH4]+ 424.97056 201.2
[M+K]+ 445.89990 186.7
[M+H-H2O]+ 389.93400 179.6
[M+HCOO]- 451.93494 192.6
[M+CH3COO]- 465.95059 218.5
[M+Na-2H]- 427.91141 188.4
[M]+ 406.93619 189.1
[M]- 406.93729 189.1
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