CID 20118091

1-(2,4-difluorophenyl)propan-2-amine

Structural Information

Molecular Formula
C9H11F2N
SMILES
CC(CC1=C(C=C(C=C1)F)F)N
InChI
InChI=1S/C9H11F2N/c1-6(12)4-7-2-3-8(10)5-9(7)11/h2-3,5-6H,4,12H2,1H3
InChIKey
IPVBMKZXHICCNW-UHFFFAOYSA-N
Compound name
1-(2,4-difluorophenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

171.08595 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09323 136.2
[M+Na]+ 194.07517 146.8
[M+NH4]+ 189.11977 143.7
[M+K]+ 210.04911 140.7
[M-H]- 170.07867 136.3
[M+Na-2H]- 192.06062 141.6
[M]+ 171.08540 137.5
[M]- 171.08650 137.5
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