CID 67785

2-fluoro-5-nitroaniline

Structural Information

Molecular Formula
C6H5FN2O2
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])N)F
InChI
InChI=1S/C6H5FN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2
InChIKey
KJVBJICWGQIMOZ-UHFFFAOYSA-N
Compound name
2-fluoro-5-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1351
Patents

156.03351 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04079 124.5
[M+Na]+ 179.02273 133.1
[M-H]- 155.02623 127.2
[M+NH4]+ 174.06733 144.4
[M+K]+ 194.99667 127.3
[M+H-H2O]+ 139.03077 122.8
[M+HCOO]- 201.03171 150.6
[M+CH3COO]- 215.04736 172.4
[M+Na-2H]- 177.00818 132.4
[M]+ 156.03296 120.1
[M]- 156.03406 120.1
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