CID 17828878

142706-74-9

Structural Information

Molecular Formula
C10H8F7NO
SMILES
C1=CC(=CC=C1N)OCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H8F7NO/c11-8(12,9(13,14)10(15,16)17)5-19-7-3-1-6(18)2-4-7/h1-4H,5,18H2
InChIKey
MSKXUCZYFWBJQG-UHFFFAOYSA-N
Compound name
4-(2,2,3,3,4,4,4-heptafluorobutoxy)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

31
Patents

291.0494 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.056676 155.8
[M+Na]+ 314.038618 164.5
[M-H]- 290.042124 150.2
[M+NH4]+ 309.083223 170.5
[M+K]+ 330.012558 160.7
[M+H-H2O]+ 274.046660 144.6
[M+HCOO]- 336.047601 168.2
[M+CH3COO]- 350.063251 202.3
[M+Na-2H]- 312.024066 160.0
[M]+ 291.04885142 145.4
[M]- 291.04994858 145.4
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