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

25
Patents

291.0494 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.05668 155.8
[M+Na]+ 314.03862 164.5
[M-H]- 290.04212 150.2
[M+NH4]+ 309.08322 170.5
[M+K]+ 330.01256 160.7
[M+H-H2O]+ 274.04666 144.6
[M+HCOO]- 336.04760 168.2
[M+CH3COO]- 350.06325 202.3
[M+Na-2H]- 312.02407 160.0
[M]+ 291.04885 145.4
[M]- 291.04995 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