CID 7430

2,6-dichloro-4-nitroaniline

Structural Information

Molecular Formula
C6H4Cl2N2O2
SMILES
C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-]
InChI
InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2
InChIKey
BIXZHMJUSMUDOQ-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

54
References

23629
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

literature stripe

Patent stripe

patents stripe