CID 16794179

{3-[(2,2,2-trifluoroethoxy)methyl]phenyl}methanamine

Structural Information

Molecular Formula
C10H12F3NO
SMILES
C1=CC(=CC(=C1)COCC(F)(F)F)CN
InChI
InChI=1S/C10H12F3NO/c11-10(12,13)7-15-6-9-3-1-2-8(4-9)5-14/h1-4H,5-7,14H2
InChIKey
UTFSGAOQFVAVTC-UHFFFAOYSA-N
Compound name
[3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.0871 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09438 144.5
[M+Na]+ 242.07632 152.2
[M-H]- 218.07982 143.7
[M+NH4]+ 237.12092 162.6
[M+K]+ 258.05026 149.2
[M+H-H2O]+ 202.08436 136.0
[M+HCOO]- 264.08530 164.6
[M+CH3COO]- 278.10095 189.6
[M+Na-2H]- 240.06177 149.5
[M]+ 219.08655 140.7
[M]- 219.08765 140.7
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.