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]+ 156.032296 128.4
[M+Na]+ 178.014238 141.5
[M-H]- 154.017744 128.6
[M+NH4]+ 173.058843 150.7
[M+K]+ 193.988178 137.1
[M+H-H2O]+ 138.022280 122.0
[M+HCOO]- 200.023221 146.5
[M+CH3COO]- 214.038871 142.9
[M+Na-2H]- 175.999686 134.2
[M]+ 155.02447142 131.0
[M]- 155.02556858 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