CID 103044

64909-33-7

Structural Information

Molecular Formula
C8H9ClN3
SMILES
CN(C)C1=C(C=C(C=C1)[N+]#N)Cl
InChI
InChI=1S/C8H9ClN3/c1-12(2)8-4-3-6(11-10)5-7(8)9/h3-5H,1-2H3/q+1
InChIKey
GVVSBXXPMFLAIY-UHFFFAOYSA-N
Compound name
3-chloro-4-(dimethylamino)benzenediazonium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

182.0485 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.05578 139.7
[M+Na]+ 205.03772 150.5
[M-H]- 181.04122 145.7
[M+NH4]+ 200.08232 158.9
[M+K]+ 221.01166 143.3
[M+H-H2O]+ 165.04576 130.2
[M+HCOO]- 227.04670 159.8
[M+CH3COO]- 241.06235 196.7
[M+Na-2H]- 203.02317 147.6
[M]+ 182.04795 136.8
[M]- 182.04905 136.8
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