CID 4962292

2-[4-(difluoromethoxy)phenyl]ethan-1-amine

Structural Information

Molecular Formula
C9H11F2NO
SMILES
C1=CC(=CC=C1CCN)OC(F)F
InChI
InChI=1S/C9H11F2NO/c10-9(11)13-8-3-1-7(2-4-8)5-6-12/h1-4,9H,5-6,12H2
InChIKey
QVANIQIFGOVCFT-UHFFFAOYSA-N
Compound name
2-[4-(difluoromethoxy)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

61
Patents

187.08087 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.08815 137.1
[M+Na]+ 210.07009 144.4
[M-H]- 186.07359 137.6
[M+NH4]+ 205.11469 156.3
[M+K]+ 226.04403 142.2
[M+H-H2O]+ 170.07813 129.3
[M+HCOO]- 232.07907 159.2
[M+CH3COO]- 246.09472 184.9
[M+Na-2H]- 208.05554 141.4
[M]+ 187.08032 134.1
[M]- 187.08142 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

literature stripe

Patent stripe

patents stripe