CID 19627336

1431968-12-5

Structural Information

Molecular Formula
C9H11F2NO
SMILES
C1=CC(=CC=C1CN)OCC(F)F
InChI
InChI=1S/C9H11F2NO/c10-9(11)6-13-8-3-1-7(5-12)2-4-8/h1-4,9H,5-6,12H2
InChIKey
DOCAXBJQEKQLKZ-UHFFFAOYSA-N
Compound name
[4-(2,2-difluoroethoxy)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

187.08087 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.088146 137.1
[M+Na]+ 210.070088 144.4
[M-H]- 186.073594 137.6
[M+NH4]+ 205.114693 156.3
[M+K]+ 226.044028 142.2
[M+H-H2O]+ 170.078130 129.3
[M+HCOO]- 232.079071 159.2
[M+CH3COO]- 246.094721 184.9
[M+Na-2H]- 208.055536 141.4
[M]+ 187.08032142 134.1
[M]- 187.08141858 134.1
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