CID 155820908

(1r)-2,2-difluoro-1-[2-fluoro-4-(2-fluoroethoxy)phenyl]ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H11F4NO
SMILES
C1=CC(=C(C=C1OCCF)F)[C@H](C(F)F)N
InChI
InChI=1S/C10H11F4NO/c11-3-4-16-6-1-2-7(8(12)5-6)9(15)10(13)14/h1-2,5,9-10H,3-4,15H2/t9-/m1/s1
InChIKey
BHTUXYJEQOQIAO-SECBINFHSA-N
Compound name
(1R)-2,2-difluoro-1-[2-fluoro-4-(2-fluoroethoxy)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.07768 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08496 147.5
[M+Na]+ 260.06690 155.0
[M-H]- 236.07040 145.4
[M+NH4]+ 255.11150 164.6
[M+K]+ 276.04084 152.1
[M+H-H2O]+ 220.07494 137.7
[M+HCOO]- 282.07588 165.9
[M+CH3COO]- 296.09153 195.6
[M+Na-2H]- 258.05235 147.9
[M]+ 237.07713 142.1
[M]- 237.07823 142.1
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.