CID 54592445

3-fluoro-1-n-propylbenzene-1,2-diamine

Structural Information

Molecular Formula
C9H13FN2
SMILES
CCCNC1=C(C(=CC=C1)F)N
InChI
InChI=1S/C9H13FN2/c1-2-6-12-8-5-3-4-7(10)9(8)11/h3-5,12H,2,6,11H2,1H3
InChIKey
CVDJFPZPQFGRHW-UHFFFAOYSA-N
Compound name
3-fluoro-1-N-propylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.10628 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.11356 134.6
[M+Na]+ 191.09550 145.4
[M+NH4]+ 186.14010 142.8
[M+K]+ 207.06944 138.9
[M-H]- 167.09900 136.8
[M+Na-2H]- 189.08095 141.0
[M]+ 168.10573 136.5
[M]- 168.10683 136.5
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

No patent data available for this compound.