CID 22669157

4-fluoro-n-propylaniline

Structural Information

Molecular Formula
C9H12FN
SMILES
CCCNC1=CC=C(C=C1)F
InChI
InChI=1S/C9H12FN/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6,11H,2,7H2,1H3
InChIKey
CPBZXHWWPFPWMN-UHFFFAOYSA-N
Compound name
4-fluoro-N-propylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

65
Patents

153.09538 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.10266 130.0
[M+Na]+ 176.08460 137.6
[M-H]- 152.08810 132.4
[M+NH4]+ 171.12920 151.1
[M+K]+ 192.05854 135.2
[M+H-H2O]+ 136.09264 123.4
[M+HCOO]- 198.09358 154.6
[M+CH3COO]- 212.10923 180.0
[M+Na-2H]- 174.07005 137.3
[M]+ 153.09483 128.4
[M]- 153.09593 128.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe