CID 707738

4-((2-chlorophenyl)methoxy)-1-nitrobenzene

Structural Information

Molecular Formula
C13H10ClNO3
SMILES
C1=CC=C(C(=C1)COC2=CC=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C13H10ClNO3/c14-13-4-2-1-3-10(13)9-18-12-7-5-11(6-8-12)15(16)17/h1-8H,9H2
InChIKey
LDIFYZGCGRNXGX-UHFFFAOYSA-N
Compound name
1-chloro-2-[(4-nitrophenoxy)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

263.0349 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.042176 156.3
[M+Na]+ 286.024118 164.0
[M-H]- 262.027624 162.9
[M+NH4]+ 281.068723 172.7
[M+K]+ 301.998058 155.6
[M+H-H2O]+ 246.032160 154.2
[M+HCOO]- 308.033101 177.6
[M+CH3COO]- 322.048751 188.7
[M+Na-2H]- 284.009566 163.5
[M]+ 263.03435142 158.3
[M]- 263.03544858 158.3
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