CID 28766533

N-(3-aminopropyl)-2-fluoroaniline hydrochloride

Structural Information

Molecular Formula
C9H13FN2
SMILES
C1=CC=C(C(=C1)NCCCN)F
InChI
InChI=1S/C9H13FN2/c10-8-4-1-2-5-9(8)12-7-3-6-11/h1-2,4-5,12H,3,6-7,11H2
InChIKey
ALNRNQZBLBBDPF-UHFFFAOYSA-N
Compound name
N'-(2-fluorophenyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.10628 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.113556 134.2
[M+Na]+ 191.095498 140.9
[M-H]- 167.099004 136.0
[M+NH4]+ 186.140103 154.0
[M+K]+ 207.069438 138.0
[M+H-H2O]+ 151.103540 127.1
[M+HCOO]- 213.104481 159.1
[M+CH3COO]- 227.120131 184.2
[M+Na-2H]- 189.080946 140.7
[M]+ 168.10573142 130.8
[M]- 168.10682858 130.8
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

No patent data available for this compound.