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

14
Patents

291.0494 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.056676 155.9
[M+Na]+ 314.038618 165.6
[M-H]- 290.042124 150.8
[M+NH4]+ 309.083223 171.0
[M+K]+ 330.012558 161.9
[M+H-H2O]+ 274.046660 145.0
[M+HCOO]- 336.047601 168.3
[M+CH3COO]- 350.063251 202.8
[M+Na-2H]- 312.024066 159.5
[M]+ 291.04885142 145.8
[M]- 291.04994858 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