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

1953
Patents

126.059326 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.06660 120.8
[M+Na]+ 149.04854 132.0
[M+NH4]+ 144.09315 129.4
[M+K]+ 165.02248 126.4
[M-H]- 125.05205 123.0
[M+Na-2H]- 147.03399 127.7
[M]+ 126.05878 122.8
[M]- 126.05987 122.8
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