CID 345372

2-fluorobenzene-1,4-diamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5800
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 121.0
[M+Na]+ 149.04854 130.0
[M-H]- 125.05205 123.2
[M+NH4]+ 144.09315 142.6
[M+K]+ 165.02248 127.5
[M+H-H2O]+ 109.05659 114.8
[M+HCOO]- 171.05753 146.3
[M+CH3COO]- 185.07318 175.6
[M+Na-2H]- 147.03399 127.3
[M]+ 126.05878 115.9
[M]- 126.05987 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