CID 63598985

4-(2,2-difluoroethoxy)-2,5-difluoroaniline

Structural Information

Molecular Formula
C8H7F4NO
SMILES
C1=C(C(=CC(=C1F)OCC(F)F)F)N
InChI
InChI=1S/C8H7F4NO/c9-4-2-7(14-3-8(11)12)5(10)1-6(4)13/h1-2,8H,3,13H2
InChIKey
NSFPLZQVBOGXST-UHFFFAOYSA-N
Compound name
4-(2,2-difluoroethoxy)-2,5-difluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

209.04637 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.053646 137.3
[M+Na]+ 232.035588 146.9
[M-H]- 208.039094 135.9
[M+NH4]+ 227.080193 156.0
[M+K]+ 248.009528 144.1
[M+H-H2O]+ 192.043630 128.1
[M+HCOO]- 254.044571 157.4
[M+CH3COO]- 268.060221 189.9
[M+Na-2H]- 230.021036 139.4
[M]+ 209.04582142 132.2
[M]- 209.04691858 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

patents stripe