CID 118841523

2-fluoro-4-nitrobenzene-1,3-diamine

Structural Information

Molecular Formula
C6H6FN3O2
SMILES
C1=CC(=C(C(=C1N)F)N)[N+](=O)[O-]
InChI
InChI=1S/C6H6FN3O2/c7-5-3(8)1-2-4(6(5)9)10(11)12/h1-2H,8-9H2
InChIKey
FBWOLLVZEDVTLH-UHFFFAOYSA-N
Compound name
2-fluoro-4-nitrobenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

171.0444 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05168 127.6
[M+Na]+ 194.03362 136.2
[M-H]- 170.03712 130.0
[M+NH4]+ 189.07822 146.5
[M+K]+ 210.00756 129.9
[M+H-H2O]+ 154.04166 125.6
[M+HCOO]- 216.04260 154.0
[M+CH3COO]- 230.05825 177.7
[M+Na-2H]- 192.01907 134.2
[M]+ 171.04385 121.8
[M]- 171.04495 121.8
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