CID 88885

2-fluoro-3-nitroaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

156.03351 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.040786 124.5
[M+Na]+ 179.022728 133.1
[M-H]- 155.026234 127.2
[M+NH4]+ 174.067333 144.4
[M+K]+ 194.996668 127.3
[M+H-H2O]+ 139.030770 122.8
[M+HCOO]- 201.031711 150.6
[M+CH3COO]- 215.047361 172.4
[M+Na-2H]- 177.008176 132.4
[M]+ 156.03296142 120.1
[M]- 156.03405858 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

No literature data available for this compound.

Patent stripe

patents stripe