CID 2774990

94094-38-9

Structural Information

Molecular Formula
C16H16Cl2N2O3
SMILES
CCN(CC)C1=CC(=C(C=C1OC2=CC=C(C=C2)Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C16H16Cl2N2O3/c1-3-19(4-2)15-9-13(18)14(20(21)22)10-16(15)23-12-7-5-11(17)6-8-12/h5-10H,3-4H2,1-2H3
InChIKey
JOFIIJLHJGKEGN-UHFFFAOYSA-N
Compound name
5-chloro-2-(4-chlorophenoxy)-N,N-diethyl-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

354.0538 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.06108 181.1
[M+Na]+ 377.04302 188.4
[M-H]- 353.04652 188.0
[M+NH4]+ 372.08762 194.9
[M+K]+ 393.01696 179.8
[M+H-H2O]+ 337.05106 179.0
[M+HCOO]- 399.05200 197.5
[M+CH3COO]- 413.06765 212.2
[M+Na-2H]- 375.02847 184.0
[M]+ 354.05325 186.7
[M]- 354.05435 186.7
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