CID 80343

Einecs 228-280-1

Structural Information

Molecular Formula
C8H9ClN2O2
SMILES
CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])Cl
InChI
InChI=1S/C8H9ClN2O2/c1-10(2)8-4-3-6(11(12)13)5-7(8)9/h3-5H,1-2H3
InChIKey
OZKAWTHGBGLZKC-UHFFFAOYSA-N
Compound name
2-chloro-N,N-dimethyl-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

200.03525 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.04253 139.1
[M+Na]+ 223.02447 147.4
[M-H]- 199.02797 144.4
[M+NH4]+ 218.06907 159.0
[M+K]+ 238.99841 141.6
[M+H-H2O]+ 183.03251 138.8
[M+HCOO]- 245.03345 162.1
[M+CH3COO]- 259.04910 184.0
[M+Na-2H]- 221.00992 146.1
[M]+ 200.03470 140.9
[M]- 200.03580 140.9
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

patents stripe