CID 9662985

(e)-[(4-chlorophenyl)methylidene]amino 3-nitrobenzoate

Structural Information

Molecular Formula
C14H9ClN2O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O/N=C/C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H9ClN2O4/c15-12-6-4-10(5-7-12)9-16-21-14(18)11-2-1-3-13(8-11)17(19)20/h1-9H/b16-9+
InChIKey
MWGPVNLCAQLRJO-CXUHLZMHSA-N
Compound name
[(E)-(4-chlorophenyl)methylideneamino] 3-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.0251 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.032376 166.0
[M+Na]+ 327.014318 172.9
[M-H]- 303.017824 173.9
[M+NH4]+ 322.058923 180.8
[M+K]+ 342.988258 165.1
[M+H-H2O]+ 287.022360 163.1
[M+HCOO]- 349.023301 189.0
[M+CH3COO]- 363.038951 198.6
[M+Na-2H]- 324.999766 172.6
[M]+ 304.02455142 168.6
[M]- 304.02564858 168.6
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

No patent data available for this compound.