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]+ 169.11356 134.2
[M+Na]+ 191.09550 140.9
[M-H]- 167.09900 136.0
[M+NH4]+ 186.14010 154.0
[M+K]+ 207.06944 138.0
[M+H-H2O]+ 151.10354 127.1
[M+HCOO]- 213.10448 159.1
[M+CH3COO]- 227.12013 184.2
[M+Na-2H]- 189.08095 140.7
[M]+ 168.10573 130.8
[M]- 168.10683 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.