CID 61678062

2-fluoro-4-(2,2,2-trifluoroethoxy)aniline

Structural Information

Molecular Formula
C8H7F4NO
SMILES
C1=CC(=C(C=C1OCC(F)(F)F)F)N
InChI
InChI=1S/C8H7F4NO/c9-6-3-5(1-2-7(6)13)14-4-8(10,11)12/h1-3H,4,13H2
InChIKey
KVJHWCDGFQWXQH-UHFFFAOYSA-N
Compound name
2-fluoro-4-(2,2,2-trifluoroethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.04637 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.05365 137.7
[M+Na]+ 232.03559 147.2
[M-H]- 208.03909 136.2
[M+NH4]+ 227.08019 156.3
[M+K]+ 248.00953 144.3
[M+H-H2O]+ 192.04363 128.8
[M+HCOO]- 254.04457 157.3
[M+CH3COO]- 268.06022 187.6
[M+Na-2H]- 230.02104 142.4
[M]+ 209.04582 132.2
[M]- 209.04692 132.2
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

No patent data available for this compound.