CID 23108

2,5-dichloro-4-nitroaniline

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

1
References

255
Patents

205.96498 Da
Monoisotopic Mass

2.2
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

literature stripe

Patent stripe

patents stripe