CID 374604

Nsc652572

Structural Information

Molecular Formula
C14H11ClN2O2
SMILES
CC1=CC(=C(C2=C1NC3=C2C=C(C=C3)Cl)C)[N+](=O)[O-]
InChI
InChI=1S/C14H11ClN2O2/c1-7-5-12(17(18)19)8(2)13-10-6-9(15)3-4-11(10)16-14(7)13/h3-6,16H,1-2H3
InChIKey
CZVGDUOHOZZHFG-UHFFFAOYSA-N
Compound name
6-chloro-1,4-dimethyl-3-nitro-9H-carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0509 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.05818 159.3
[M+Na]+ 297.04012 170.9
[M-H]- 273.04362 163.2
[M+NH4]+ 292.08472 178.2
[M+K]+ 313.01406 160.3
[M+H-H2O]+ 257.04816 158.4
[M+HCOO]- 319.04910 177.4
[M+CH3COO]- 333.06475 192.1
[M+Na-2H]- 295.02557 166.1
[M]+ 274.05035 162.2
[M]- 274.05145 162.2
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.