CID 14969219

3-azido-4-chloroaniline

Structural Information

Molecular Formula
C6H5ClN4
SMILES
C1=CC(=C(C=C1N)N=[N+]=[N-])Cl
InChI
InChI=1S/C6H5ClN4/c7-5-2-1-4(8)3-6(5)10-11-9/h1-3H,8H2
InChIKey
PQQBSHOPLNHYBA-UHFFFAOYSA-N
Compound name
3-azido-4-chloroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.02028 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.02756 131.4
[M+Na]+ 191.00950 140.1
[M-H]- 167.01300 137.4
[M+NH4]+ 186.05410 152.4
[M+K]+ 206.98344 132.5
[M+H-H2O]+ 151.01754 130.5
[M+HCOO]- 213.01848 159.3
[M+CH3COO]- 227.03413 182.3
[M+Na-2H]- 188.99495 141.4
[M]+ 168.01973 129.3
[M]- 168.02083 129.3
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.