CID 117632184

Dtxsid20896361

Structural Information

Molecular Formula
C11H9ClF7N
SMILES
CCC1=C(C(=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)Cl)N
InChI
InChI=1S/C11H9ClF7N/c1-2-5-3-6(4-7(12)8(5)20)9(13,10(14,15)16)11(17,18)19/h3-4H,2,20H2,1H3
InChIKey
BHBBDCWGTJHGCX-UHFFFAOYSA-N
Compound name
2-chloro-6-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

32
Patents

323.0312 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.03848 161.6
[M+Na]+ 346.02042 172.6
[M-H]- 322.02392 156.6
[M+NH4]+ 341.06502 176.7
[M+K]+ 361.99436 166.2
[M+H-H2O]+ 306.02846 151.6
[M+HCOO]- 368.02940 169.1
[M+CH3COO]- 382.04505 208.6
[M+Na-2H]- 344.00587 163.6
[M]+ 323.03065 153.1
[M]- 323.03175 153.1
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