CID 130658301

2569698-42-4

Structural Information

Molecular Formula
C9H10F3N
SMILES
C[C@H](C1=C(C(=CC=C1)C(F)F)F)N
InChI
InChI=1S/C9H10F3N/c1-5(13)6-3-2-4-7(8(6)10)9(11)12/h2-5,9H,13H2,1H3/t5-/m1/s1
InChIKey
QDCZKSVDMXYQHR-RXMQYKEDSA-N
Compound name
(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

204
Patents

189.07654 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.083816 136.7
[M+Na]+ 212.065758 144.7
[M-H]- 188.069264 136.3
[M+NH4]+ 207.110363 156.0
[M+K]+ 228.039698 142.0
[M+H-H2O]+ 172.073800 128.4
[M+HCOO]- 234.074741 156.4
[M+CH3COO]- 248.090391 187.8
[M+Na-2H]- 210.051206 138.3
[M]+ 189.07599142 130.7
[M]- 189.07708858 130.7
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