CID 9838969

273735-38-9

Structural Information

Molecular Formula
C10H8F7NO
SMILES
COC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)N
InChI
InChI=1S/C10H8F7NO/c1-19-7-4-5(2-3-6(7)18)8(11,9(12,13)14)10(15,16)17/h2-4H,18H2,1H3
InChIKey
INCNKEPQBIGNRG-UHFFFAOYSA-N
Compound name
4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

291.0494 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.05668 155.9
[M+Na]+ 314.03862 165.6
[M-H]- 290.04212 150.8
[M+NH4]+ 309.08322 171.0
[M+K]+ 330.01256 161.9
[M+H-H2O]+ 274.04666 145.0
[M+HCOO]- 336.04760 168.3
[M+CH3COO]- 350.06325 202.8
[M+Na-2H]- 312.02407 159.5
[M]+ 291.04885 145.8
[M]- 291.04995 145.8
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