CID 80343

Benzenamine, 2-chloro-n,n-dimethyl-4-nitro-

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

35
Patents

200.03525 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.042526 139.1
[M+Na]+ 223.024468 147.4
[M-H]- 199.027974 144.4
[M+NH4]+ 218.069073 159.0
[M+K]+ 238.998408 141.6
[M+H-H2O]+ 183.032510 138.8
[M+HCOO]- 245.033451 162.1
[M+CH3COO]- 259.049101 184.0
[M+Na-2H]- 221.009916 146.1
[M]+ 200.03470142 140.9
[M]- 200.03579858 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