CID 4245356

3-(heptadecafluorooctyl)aniline

Structural Information

Molecular Formula
C14H6F17N
SMILES
C1=CC(=CC(=C1)N)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H6F17N/c15-7(16,5-2-1-3-6(32)4-5)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h1-4H,32H2
InChIKey
FQQMUCAKAYUZFS-UHFFFAOYSA-N
Compound name
3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

39
Patents

511.0229 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.03018 161.5
[M+Na]+ 534.01212 161.7
[M+NH4]+ 529.05672 161.4
[M+K]+ 549.98606 161.9
[M-H]- 510.01562 160.2
[M+Na-2H]- 531.99757 161.9
[M]+ 511.02235 161.1
[M]- 511.02345 161.1
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