CID 5360153

4-chloro-2-(2,4-dinitroanilino)phenol

Structural Information

Molecular Formula
C12H8ClN3O5
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C12H8ClN3O5/c13-7-1-4-12(17)10(5-7)14-9-3-2-8(15(18)19)6-11(9)16(20)21/h1-6,14,17H
InChIKey
NMDMHKVCPISZTF-UHFFFAOYSA-N
Compound name
4-chloro-2-(2,4-dinitroanilino)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

309.01526 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.02254 165.0
[M+Na]+ 332.00448 170.7
[M-H]- 308.00798 170.2
[M+NH4]+ 327.04908 177.0
[M+K]+ 347.97842 158.5
[M+H-H2O]+ 292.01252 167.2
[M+HCOO]- 354.01346 186.0
[M+CH3COO]- 368.02911 192.3
[M+Na-2H]- 329.98993 172.6
[M]+ 309.01471 163.2
[M]- 309.01581 163.2
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