CID 736109

66938-41-8

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
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 161.9
[M+Na]+ 314.01907 169.9
[M-H]- 290.02257 168.8
[M+NH4]+ 309.06367 177.2
[M+K]+ 329.99301 161.9
[M+H-H2O]+ 274.02711 159.9
[M+HCOO]- 336.02805 182.3
[M+CH3COO]- 350.04370 194.6
[M+Na-2H]- 312.00452 167.0
[M]+ 291.02930 164.7
[M]- 291.03040 164.7
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