CID 75525716

2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H10F3NO
SMILES
COC1=C(C=C(C=C1)C(C(F)F)N)F
InChI
InChI=1S/C9H10F3NO/c1-14-7-3-2-5(4-6(7)10)8(13)9(11)12/h2-4,8-9H,13H2,1H3
InChIKey
BSJSZDJLQOBJEX-UHFFFAOYSA-N
Compound name
2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.07144 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.078716 140.0
[M+Na]+ 228.060658 147.9
[M-H]- 204.064164 139.5
[M+NH4]+ 223.105263 158.6
[M+K]+ 244.034598 145.8
[M+H-H2O]+ 188.068700 131.5
[M+HCOO]- 250.069641 159.9
[M+CH3COO]- 264.085291 189.8
[M+Na-2H]- 226.046106 141.6
[M]+ 205.07089142 135.4
[M]- 205.07198858 135.4
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.