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 136.4
[M+Na]+ 210.07009 145.6
[M-H]- 186.07359 137.8
[M+NH4]+ 205.11469 156.3
[M+K]+ 226.04403 143.5
[M+H-H2O]+ 170.07813 129.2
[M+HCOO]- 232.07907 158.5
[M+CH3COO]- 246.09472 187.3
[M+Na-2H]- 208.05554 139.3
[M]+ 187.08032 134.2
[M]- 187.08142 134.2
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.