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

105
Patents

156.03351 Da
Monoisotopic Mass

1.5
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

No literature data available for this compound.

Patent stripe

patents stripe