CID 19627082

2-(2,2-difluoroethoxy)-5-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C9H8F5NO
SMILES
C1=CC(=C(C=C1C(F)(F)F)N)OCC(F)F
InChI
InChI=1S/C9H8F5NO/c10-8(11)4-16-7-2-1-5(3-6(7)15)9(12,13)14/h1-3,8H,4,15H2
InChIKey
GZKJIJGPUYSLBO-UHFFFAOYSA-N
Compound name
2-(2,2-difluoroethoxy)-5-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.05261 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.05989 145.3
[M+Na]+ 264.04183 154.2
[M-H]- 240.04533 142.4
[M+NH4]+ 259.08643 162.5
[M+K]+ 280.01577 151.1
[M+H-H2O]+ 224.04987 135.4
[M+HCOO]- 286.05081 162.5
[M+CH3COO]- 300.06646 194.4
[M+Na-2H]- 262.02728 147.7
[M]+ 241.05206 138.3
[M]- 241.05316 138.3
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

No patent data available for this compound.