CID 62115035

4-(chloromethyl)-2-ethoxy-1-nitrobenzene

Structural Information

Molecular Formula
C9H10ClNO3
SMILES
CCOC1=C(C=CC(=C1)CCl)[N+](=O)[O-]
InChI
InChI=1S/C9H10ClNO3/c1-2-14-9-5-7(6-10)3-4-8(9)11(12)13/h3-5H,2,6H2,1H3
InChIKey
QRYUROFBJONFBR-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-ethoxy-1-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

215.03493 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.04221 140.9
[M+Na]+ 238.02415 155.6
[M+NH4]+ 233.06875 149.7
[M+K]+ 253.99809 151.1
[M-H]- 214.02765 144.4
[M+Na-2H]- 236.00960 147.8
[M]+ 215.03438 144.3
[M]- 215.03548 144.3
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