CID 9697

2,4-difluoro-6-nitroaniline

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

1
References

97
Patents

174.02408 Da
Monoisotopic Mass

1.8
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

literature stripe

Patent stripe

patents stripe