CID 3053569

Alpha-methyl-3-(1,1,2,2-tetrafluoroethoxy)benzeneethanamine hydrochloride

Structural Information

Molecular Formula
C11H13F4NO
SMILES
CC(CC1=CC(=CC=C1)OC(C(F)F)(F)F)N
InChI
InChI=1S/C11H13F4NO/c1-7(16)5-8-3-2-4-9(6-8)17-11(14,15)10(12)13/h2-4,6-7,10H,5,16H2,1H3
InChIKey
CTMQEHOSYPKKBV-UHFFFAOYSA-N
Compound name
1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.09332 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10060 152.1
[M+Na]+ 274.08254 158.7
[M-H]- 250.08604 149.8
[M+NH4]+ 269.12714 168.5
[M+K]+ 290.05648 156.1
[M+H-H2O]+ 234.09058 142.5
[M+HCOO]- 296.09152 168.6
[M+CH3COO]- 310.10717 197.9
[M+Na-2H]- 272.06799 153.4
[M]+ 251.09277 146.1
[M]- 251.09387 146.1
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.