CID 110134

68399-82-6

Structural Information

Molecular Formula
C9H11ClN3O
SMILES
CN(C)C1=C(C=C(C(=C1)Cl)[N+]#N)OC
InChI
InChI=1S/C9H11ClN3O/c1-13(2)8-4-6(10)7(12-11)5-9(8)14-3/h4-5H,1-3H3/q+1
InChIKey
MTQALLROUQETNZ-UHFFFAOYSA-N
Compound name
2-chloro-4-(dimethylamino)-5-methoxybenzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

212.05907 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06635 145.5
[M+Na]+ 235.04829 156.7
[M-H]- 211.05179 151.7
[M+NH4]+ 230.09289 164.0
[M+K]+ 251.02223 149.9
[M+H-H2O]+ 195.05633 136.0
[M+HCOO]- 257.05727 165.6
[M+CH3COO]- 271.07292 202.2
[M+Na-2H]- 233.03374 152.5
[M]+ 212.05852 144.6
[M]- 212.05962 144.6
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