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

14
Patents

242.99661 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.00389 146.4
[M+Na]+ 265.98583 160.7
[M-H]- 241.98933 147.5
[M+NH4]+ 261.03043 164.8
[M+K]+ 281.95977 155.0
[M+H-H2O]+ 225.99387 139.9
[M+HCOO]- 287.99481 158.3
[M+CH3COO]- 302.01046 159.8
[M+Na-2H]- 263.97128 150.5
[M]+ 242.99606 153.0
[M]- 242.99716 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