CID 2777119

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

Structural Information

Molecular Formula
C8H8F3NO
SMILES
C1=CC(=CC=C1N)OCC(F)(F)F
InChI
InChI=1S/C8H8F3NO/c9-8(10,11)5-13-7-3-1-6(12)2-4-7/h1-4H,5,12H2
InChIKey
OXFDNUZWKFKMSB-UHFFFAOYSA-N
Compound name
4-(2,2,2-trifluoroethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

344
Patents

191.0558 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.063076 135.1
[M+Na]+ 214.045018 143.6
[M-H]- 190.048524 134.7
[M+NH4]+ 209.089623 154.3
[M+K]+ 230.018958 141.1
[M+H-H2O]+ 174.053060 127.0
[M+HCOO]- 236.054001 155.8
[M+CH3COO]- 250.069651 183.5
[M+Na-2H]- 212.030466 141.2
[M]+ 191.05525142 130.5
[M]- 191.05634858 130.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe