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]+ 227.05818 146.0
[M+Na]+ 249.04012 159.9
[M+NH4]+ 244.08472 154.6
[M+K]+ 265.01406 155.4
[M-H]- 225.04362 150.2
[M+Na-2H]- 247.02557 152.8
[M]+ 226.05035 149.4
[M]- 226.05145 149.4
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.