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]+ 305.03238 166.0
[M+Na]+ 327.01432 172.9
[M-H]- 303.01782 173.9
[M+NH4]+ 322.05892 180.8
[M+K]+ 342.98826 165.1
[M+H-H2O]+ 287.02236 163.1
[M+HCOO]- 349.02330 189.0
[M+CH3COO]- 363.03895 198.6
[M+Na-2H]- 324.99977 172.6
[M]+ 304.02455 168.6
[M]- 304.02565 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.