CID 675064

4-chloro-2-ethoxy-1-nitrobenzene

Structural Information

Molecular Formula
C8H8ClNO3
SMILES
CCOC1=C(C=CC(=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C8H8ClNO3/c1-2-13-8-5-6(9)3-4-7(8)10(11)12/h3-5H,2H2,1H3
InChIKey
YYQSMJVVERBZPU-UHFFFAOYSA-N
Compound name
4-chloro-2-ethoxy-1-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

201.01927 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.02655 138.5
[M+Na]+ 224.00849 147.4
[M-H]- 200.01199 142.5
[M+NH4]+ 219.05309 158.1
[M+K]+ 239.98243 140.8
[M+H-H2O]+ 184.01653 138.6
[M+HCOO]- 246.01747 160.2
[M+CH3COO]- 260.03312 177.8
[M+Na-2H]- 221.99394 146.0
[M]+ 201.01872 141.2
[M]- 201.01982 141.2
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