CID 11171194

1-(azidomethyl)-4-chlorobenzene

Structural Information

Molecular Formula
C7H6ClN3
SMILES
C1=CC(=CC=C1CN=[N+]=[N-])Cl
InChI
InChI=1S/C7H6ClN3/c8-7-3-1-6(2-4-7)5-10-11-9/h1-4H,5H2
InChIKey
JMTPIENQTKMREN-UHFFFAOYSA-N
Compound name
1-(azidomethyl)-4-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

167.02502 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.03230 130.1
[M+Na]+ 190.01424 145.2
[M+NH4]+ 185.05884 140.5
[M+K]+ 205.98818 138.5
[M-H]- 166.01774 136.6
[M+Na-2H]- 187.99969 139.8
[M]+ 167.02447 134.4
[M]- 167.02557 134.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe