CID 5933802

94097-88-8

Structural Information

Molecular Formula
C17H15ClN2O3
SMILES
C1CC1/C(=N\OCC2=CC=C(C=C2)[N+](=O)[O-])/C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H15ClN2O3/c18-15-7-5-14(6-8-15)17(13-3-4-13)19-23-11-12-1-9-16(10-2-12)20(21)22/h1-2,5-10,13H,3-4,11H2/b19-17+
InChIKey
LZLLLIXVUHWOKV-HTXNQAPBSA-N
Compound name
(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.07712 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.084396 166.6
[M+Na]+ 353.066338 173.4
[M-H]- 329.069844 177.1
[M+NH4]+ 348.110943 175.6
[M+K]+ 369.040278 164.5
[M+H-H2O]+ 313.074380 163.2
[M+HCOO]- 375.075321 188.8
[M+CH3COO]- 389.090971 207.9
[M+Na-2H]- 351.051786 172.4
[M]+ 330.07657142 170.4
[M]- 330.07766858 170.4
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.