CID 132454

77636-92-1

Structural Information

Molecular Formula
C10H9ClN4O
SMILES
COC1=C(C=C(C=C1)Cl)N=NC2=NC=CN2
InChI
InChI=1S/C10H9ClN4O/c1-16-9-3-2-7(11)6-8(9)14-15-10-12-4-5-13-10/h2-6H,1H3,(H,12,13)
InChIKey
IXQGZPLNCYHNKT-UHFFFAOYSA-N
Compound name
(5-chloro-2-methoxyphenyl)-(1H-imidazol-2-yl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

20
Patents

236.0465 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.05378 148.8
[M+Na]+ 259.03572 158.6
[M-H]- 235.03922 154.7
[M+NH4]+ 254.08032 166.6
[M+K]+ 275.00966 154.4
[M+H-H2O]+ 219.04376 140.2
[M+HCOO]- 281.04470 171.9
[M+CH3COO]- 295.06035 194.1
[M+Na-2H]- 257.02117 155.8
[M]+ 236.04595 152.1
[M]- 236.04705 152.1
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