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

218
Patents

189.07654 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08382 136.7
[M+Na]+ 212.06576 144.7
[M-H]- 188.06926 136.3
[M+NH4]+ 207.11036 156.0
[M+K]+ 228.03970 142.0
[M+H-H2O]+ 172.07380 128.4
[M+HCOO]- 234.07474 156.4
[M+CH3COO]- 248.09039 187.8
[M+Na-2H]- 210.05121 138.3
[M]+ 189.07599 130.7
[M]- 189.07709 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