CID 15084981

3-[(2,2,2-trifluoroethoxy)methyl]aniline

Structural Information

Molecular Formula
C9H10F3NO
SMILES
C1=CC(=CC(=C1)N)COCC(F)(F)F
InChI
InChI=1S/C9H10F3NO/c10-9(11,12)6-14-5-7-2-1-3-8(13)4-7/h1-4H,5-6,13H2
InChIKey
IQNICUMDZICMBN-UHFFFAOYSA-N
Compound name
3-(2,2,2-trifluoroethoxymethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

205.07144 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.07872 139.8
[M+Na]+ 228.06066 147.9
[M-H]- 204.06416 139.2
[M+NH4]+ 223.10526 158.4
[M+K]+ 244.03460 145.2
[M+H-H2O]+ 188.06870 131.5
[M+HCOO]- 250.06964 160.2
[M+CH3COO]- 264.08529 186.6
[M+Na-2H]- 226.04611 145.3
[M]+ 205.07089 135.6
[M]- 205.07199 135.6
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