CID 2758312

2,4-difluoro-5-nitroaniline

Structural Information

Molecular Formula
C6H4F2N2O2
SMILES
C1=C(C(=CC(=C1[N+](=O)[O-])F)F)N
InChI
InChI=1S/C6H4F2N2O2/c7-3-1-4(8)6(10(11)12)2-5(3)9/h1-2H,9H2
InChIKey
LYWNQLCSOFZLOR-UHFFFAOYSA-N
Compound name
2,4-difluoro-5-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

174.02408 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.031356 126.4
[M+Na]+ 197.013298 136.0
[M-H]- 173.016804 128.1
[M+NH4]+ 192.057903 145.9
[M+K]+ 212.987238 129.8
[M+H-H2O]+ 157.021340 124.0
[M+HCOO]- 219.022281 151.5
[M+CH3COO]- 233.037931 176.3
[M+Na-2H]- 194.998746 133.2
[M]+ 174.02353142 121.3
[M]- 174.02462858 121.3
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