CID 70023

3-(1,1,2,2-tetrafluoroethoxy)aniline

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

168
Patents

209.04637 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.05365 137.8
[M+Na]+ 232.03559 146.0
[M-H]- 208.03909 135.9
[M+NH4]+ 227.08019 155.9
[M+K]+ 248.00953 143.5
[M+H-H2O]+ 192.04363 128.7
[M+HCOO]- 254.04457 156.4
[M+CH3COO]- 268.06022 187.9
[M+Na-2H]- 230.02104 142.0
[M]+ 209.04582 131.3
[M]- 209.04692 131.3
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