CID 21357374

2-(3,4-difluorophenyl)propan-1-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

171.08595 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09323 133.6
[M+Na]+ 194.07517 141.8
[M-H]- 170.07867 134.5
[M+NH4]+ 189.11977 153.8
[M+K]+ 210.04911 139.1
[M+H-H2O]+ 154.08321 126.3
[M+HCOO]- 216.08415 155.4
[M+CH3COO]- 230.09980 184.1
[M+Na-2H]- 192.06062 137.1
[M]+ 171.08540 129.5
[M]- 171.08650 129.5
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