CID 19627871

2-(2,2-difluoroethoxy)aniline

Structural Information

Molecular Formula
C8H9F2NO
SMILES
C1=CC=C(C(=C1)N)OCC(F)F
InChI
InChI=1S/C8H9F2NO/c9-8(10)5-12-7-4-2-1-3-6(7)11/h1-4,8H,5,11H2
InChIKey
BSGRCBDEPUIGKU-UHFFFAOYSA-N
Compound name
2-(2,2-difluoroethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

173.06522 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.072496 132.4
[M+Na]+ 196.054438 140.1
[M-H]- 172.057944 133.1
[M+NH4]+ 191.099043 152.2
[M+K]+ 212.028378 138.1
[M+H-H2O]+ 156.062480 124.8
[M+HCOO]- 218.063421 154.8
[M+CH3COO]- 232.079071 181.9
[M+Na-2H]- 194.039886 137.2
[M]+ 173.06467142 129.0
[M]- 173.06576858 129.0
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