CID 3673665

2-(3,5-difluorophenyl)ethan-1-amine

Structural Information

Molecular Formula
C8H9F2N
SMILES
C1=C(C=C(C=C1F)F)CCN
InChI
InChI=1S/C8H9F2N/c9-7-3-6(1-2-11)4-8(10)5-7/h3-5H,1-2,11H2
InChIKey
WRPAZHKOVLYSCH-UHFFFAOYSA-N
Compound name
2-(3,5-difluorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

194
Patents

157.07031 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.07759 128.3
[M+Na]+ 180.05953 137.3
[M-H]- 156.06303 129.4
[M+NH4]+ 175.10413 149.2
[M+K]+ 196.03347 134.4
[M+H-H2O]+ 140.06757 121.2
[M+HCOO]- 202.06851 151.5
[M+CH3COO]- 216.08416 180.2
[M+Na-2H]- 178.04498 133.7
[M]+ 157.06976 124.5
[M]- 157.07086 124.5
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