CID 164584

4-fluorobenzene-1,2-diamine

Structural Information

Molecular Formula
C6H7FN2
SMILES
C1=CC(=C(C=C1F)N)N
InChI
InChI=1S/C6H7FN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2
InChIKey
KWEWNOOZQVJONF-UHFFFAOYSA-N
Compound name
4-fluorobenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2042
Patents

126.059326 Da
Monoisotopic Mass

0.8
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

literature stripe

Patent stripe

patents stripe