CID 2735732

175201-95-3

Structural Information

Molecular Formula
C9H7Cl2N3O
SMILES
CC1=NN(C2=NC=C(C(=C12)Cl)C(=O)Cl)C
InChI
InChI=1S/C9H7Cl2N3O/c1-4-6-7(10)5(8(11)15)3-12-9(6)14(2)13-4/h3H,1-2H3
InChIKey
MSLNFENZAFTHFM-UHFFFAOYSA-N
Compound name
4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

242.99661 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.003886 146.4
[M+Na]+ 265.985828 160.7
[M-H]- 241.989334 147.5
[M+NH4]+ 261.030433 164.8
[M+K]+ 281.959768 155.0
[M+H-H2O]+ 225.993870 139.9
[M+HCOO]- 287.994811 158.3
[M+CH3COO]- 302.010461 159.8
[M+Na-2H]- 263.971276 150.5
[M]+ 242.99606142 153.0
[M]- 242.99715858 153.0
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