CID 23147715

1502098-50-1

Structural Information

Molecular Formula
C9H11F2NO
SMILES
CNCC1=CC(=C(C(=C1)F)OC)F
InChI
InChI=1S/C9H11F2NO/c1-12-5-6-3-7(10)9(13-2)8(11)4-6/h3-4,12H,5H2,1-2H3
InChIKey
FFABGIZKMALQLN-UHFFFAOYSA-N
Compound name
1-(3,5-difluoro-4-methoxyphenyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

187.08087 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.088146 135.4
[M+Na]+ 210.070088 144.8
[M-H]- 186.073594 137.2
[M+NH4]+ 205.114693 155.6
[M+K]+ 226.044028 142.6
[M+H-H2O]+ 170.078130 128.0
[M+HCOO]- 232.079071 159.1
[M+CH3COO]- 246.094721 187.1
[M+Na-2H]- 208.055536 140.6
[M]+ 187.08032142 134.8
[M]- 187.08141858 134.8
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

patents stripe