CID 63898479

1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H8F5NO
SMILES
C1=CC=C(C(=C1)C(C(F)(F)F)N)OC(F)F
InChI
InChI=1S/C9H8F5NO/c10-8(11)16-6-4-2-1-3-5(6)7(15)9(12,13)14/h1-4,7-8H,15H2
InChIKey
WSBGPPQVFZYRJB-UHFFFAOYSA-N
Compound name
1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.05261 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.05989 157.0
[M+Na]+ 264.04183 162.1
[M+NH4]+ 259.08643 160.1
[M+K]+ 280.01577 158.6
[M-H]- 240.04533 151.5
[M+Na-2H]- 262.02728 158.4
[M]+ 241.05206 155.7
[M]- 241.05316 155.7
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.