CID 60965101

1-(2,6-difluoro-4-methoxyphenyl)ethan-1-amine

Structural Information

Molecular Formula
C9H11F2NO
SMILES
CC(C1=C(C=C(C=C1F)OC)F)N
InChI
InChI=1S/C9H11F2NO/c1-5(12)9-7(10)3-6(13-2)4-8(9)11/h3-5H,12H2,1-2H3
InChIKey
QMTBJBIVEQEOIX-UHFFFAOYSA-N
Compound name
1-(2,6-difluoro-4-methoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.08087 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.08815 139.6
[M+Na]+ 210.07009 150.0
[M+NH4]+ 205.11469 146.5
[M+K]+ 226.04403 144.6
[M-H]- 186.07359 139.2
[M+Na-2H]- 208.05554 144.3
[M]+ 187.08032 140.7
[M]- 187.08142 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.