CID 22239316

197356-54-0

Structural Information

Molecular Formula
C6H6ClN3
SMILES
CC1=C(C2=NC=CN2N1)Cl
InChI
InChI=1S/C6H6ClN3/c1-4-5(7)6-8-2-3-10(6)9-4/h2-3,9H,1H3
InChIKey
PJHPUHKATDRQPF-UHFFFAOYSA-N
Compound name
7-chloro-6-methyl-5H-imidazo[1,2-b]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

155.02502 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.03230 128.4
[M+Na]+ 178.01424 141.5
[M-H]- 154.01774 128.6
[M+NH4]+ 173.05884 150.7
[M+K]+ 193.98818 137.1
[M+H-H2O]+ 138.02228 122.0
[M+HCOO]- 200.02322 146.5
[M+CH3COO]- 214.03887 142.9
[M+Na-2H]- 175.99969 134.2
[M]+ 155.02447 131.0
[M]- 155.02557 131.0
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