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

118
Patents

167.02502 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.032296 132.5
[M+Na]+ 190.014238 140.7
[M-H]- 166.017744 138.5
[M+NH4]+ 185.058843 153.9
[M+K]+ 205.988178 133.4
[M+H-H2O]+ 150.022280 131.5
[M+HCOO]- 212.023221 159.7
[M+CH3COO]- 226.038871 180.5
[M+Na-2H]- 187.999686 143.3
[M]+ 167.02447142 132.1
[M]- 167.02556858 132.1
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