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
2
Annotation Hits

0
References

83
Patents

205.96498 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.972256 137.6
[M+Na]+ 228.954198 147.4
[M-H]- 204.957704 140.5
[M+NH4]+ 223.998803 156.8
[M+K]+ 244.928138 139.1
[M+H-H2O]+ 188.962240 139.0
[M+HCOO]- 250.963181 154.8
[M+CH3COO]- 264.978831 179.6
[M+Na-2H]- 226.939646 143.6
[M]+ 205.96443142 137.8
[M]- 205.96552858 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