CID 3017554

2,3-dichloro-6-nitroaniline

Structural Information

Molecular Formula
C6H4Cl2N2O2
SMILES
C1=CC(=C(C(=C1[N+](=O)[O-])N)Cl)Cl
InChI
InChI=1S/C6H4Cl2N2O2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H,9H2
InChIKey
RDCOVUDTFKIURA-UHFFFAOYSA-N
Compound name
2,3-dichloro-6-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

205.96498 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.97226 137.6
[M+Na]+ 228.95420 147.4
[M-H]- 204.95770 140.5
[M+NH4]+ 223.99880 156.8
[M+K]+ 244.92814 139.1
[M+H-H2O]+ 188.96224 139.0
[M+HCOO]- 250.96318 154.8
[M+CH3COO]- 264.97883 179.6
[M+Na-2H]- 226.93965 143.6
[M]+ 205.96443 137.8
[M]- 205.96553 137.8
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