CID 23423547

5-fluorobenzene-1,3-diamine

Structural Information

Molecular Formula
C6H7FN2
SMILES
C1=C(C=C(C=C1N)F)N
InChI
InChI=1S/C6H7FN2/c7-4-1-5(8)3-6(9)2-4/h1-3H,8-9H2
InChIKey
LIYOGZUQGPRENF-UHFFFAOYSA-N
Compound name
5-fluorobenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

214
Patents

126.059326 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.066602 121.0
[M+Na]+ 149.048544 130.0
[M-H]- 125.052050 123.2
[M+NH4]+ 144.093149 142.6
[M+K]+ 165.022484 127.5
[M+H-H2O]+ 109.056586 114.8
[M+HCOO]- 171.057527 146.3
[M+CH3COO]- 185.073177 175.6
[M+Na-2H]- 147.033992 127.3
[M]+ 126.05877742 115.9
[M]- 126.05987458 115.9
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