CID 885157

(2-chloro-5-nitrophenyl)(4-methoxyphenyl)methanone

Structural Information

Molecular Formula
C14H10ClNO4
SMILES
COC1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C14H10ClNO4/c1-20-11-5-2-9(3-6-11)14(17)12-8-10(16(18)19)4-7-13(12)15/h2-8H,1H3
InChIKey
XOLMZHQBAOKBSS-UHFFFAOYSA-N
Compound name
(2-chloro-5-nitrophenyl)-(4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

291.02985 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.03713 159.9
[M+Na]+ 314.01907 176.0
[M+NH4]+ 309.06367 168.1
[M+K]+ 329.99301 171.3
[M-H]- 290.02257 165.2
[M+Na-2H]- 312.00452 168.5
[M]+ 291.02930 164.0
[M]- 291.03040 164.0
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

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