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 143.5
[M+Na]+ 238.02415 152.0
[M-H]- 214.02765 147.2
[M+NH4]+ 233.06875 162.4
[M+K]+ 253.99809 145.1
[M+H-H2O]+ 198.03219 143.3
[M+HCOO]- 260.03313 164.8
[M+CH3COO]- 274.04878 180.9
[M+Na-2H]- 236.00960 150.4
[M]+ 215.03438 146.5
[M]- 215.03548 146.5
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