CID 12697038

2-(4-fluorophenyl)propan-1-amine

Structural Information

Molecular Formula
C9H12FN
SMILES
CC(CN)C1=CC=C(C=C1)F
InChI
InChI=1S/C9H12FN/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3
InChIKey
YRBRJLWZJHRXBG-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

153.09538 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.10266 131.2
[M+Na]+ 176.08460 138.5
[M-H]- 152.08810 133.2
[M+NH4]+ 171.12920 152.0
[M+K]+ 192.05854 136.3
[M+H-H2O]+ 136.09264 124.7
[M+HCOO]- 198.09358 154.1
[M+CH3COO]- 212.10923 180.1
[M+Na-2H]- 174.07005 136.1
[M]+ 153.09483 127.9
[M]- 153.09593 127.9
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