CID 117047

1-chloro-2-isopropyliminomethyl-4-nitrobenzene

Structural Information

Molecular Formula
C10H11ClN2O2
SMILES
CC(C)N=CC1=C(C=CC(=C1)[N+](=O)[O-])Cl
InChI
InChI=1S/C10H11ClN2O2/c1-7(2)12-6-8-5-9(13(14)15)3-4-10(8)11/h3-7H,1-2H3
InChIKey
ROZKXRIKKOBONW-UHFFFAOYSA-N
Compound name
1-(2-chloro-5-nitrophenyl)-N-propan-2-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.0509 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.058176 148.1
[M+Na]+ 249.040118 155.9
[M-H]- 225.043624 153.1
[M+NH4]+ 244.084723 167.0
[M+K]+ 265.014058 149.0
[M+H-H2O]+ 209.048160 147.5
[M+HCOO]- 271.049101 170.6
[M+CH3COO]- 285.064751 188.3
[M+Na-2H]- 247.025566 154.0
[M]+ 226.05035142 149.8
[M]- 226.05144858 149.8
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.