CID 555362

2-azido-1-methyl-4-nitrobenzene

Structural Information

Molecular Formula
C7H6N4O2
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])N=[N+]=[N-]
InChI
InChI=1S/C7H6N4O2/c1-5-2-3-6(11(12)13)4-7(5)9-10-8/h2-4H,1H3
InChIKey
CLNMCDYWJPVGLZ-UHFFFAOYSA-N
Compound name
2-azido-1-methyl-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

178.04907 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.05635 138.2
[M+Na]+ 201.03829 152.0
[M+NH4]+ 196.08289 146.8
[M+K]+ 217.01223 149.6
[M-H]- 177.04179 145.0
[M+Na-2H]- 199.02374 145.7
[M]+ 178.04852 141.8
[M]- 178.04962 141.8
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

patents stripe