CID 85429

2-azido-2-phenylacetyl chloride

Structural Information

Molecular Formula
C8H6ClN3O
SMILES
C1=CC=C(C=C1)C(C(=O)Cl)N=[N+]=[N-]
InChI
InChI=1S/C8H6ClN3O/c9-8(13)7(11-12-10)6-4-2-1-3-5-6/h1-5,7H
InChIKey
NRSMVAFUFMOXFI-UHFFFAOYSA-N
Compound name
2-azido-2-phenylacetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

195.01994 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.027216 139.7
[M+Na]+ 218.009158 146.3
[M-H]- 194.012664 145.5
[M+NH4]+ 213.053763 159.4
[M+K]+ 233.983098 139.4
[M+H-H2O]+ 178.017200 138.4
[M+HCOO]- 240.018141 165.1
[M+CH3COO]- 254.033791 184.7
[M+Na-2H]- 215.994606 148.4
[M]+ 195.01939142 138.8
[M]- 195.02048858 138.8
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