CID 17587611

4-chloro-1-(3,4-difluorophenyl)-1h-pyrazolo[3,4-d]pyrimidine

Structural Information

Molecular Formula
C11H5ClF2N4
SMILES
C1=CC(=C(C=C1N2C3=C(C=N2)C(=NC=N3)Cl)F)F
InChI
InChI=1S/C11H5ClF2N4/c12-10-7-4-17-18(11(7)16-5-15-10)6-1-2-8(13)9(14)3-6/h1-5H
InChIKey
OWGIFMIIHCCNSE-UHFFFAOYSA-N
Compound name
4-chloro-1-(3,4-difluorophenyl)pyrazolo[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.0171 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.02438 151.9
[M+Na]+ 289.00632 166.7
[M-H]- 265.00982 152.8
[M+NH4]+ 284.05092 167.1
[M+K]+ 304.98026 159.2
[M+H-H2O]+ 249.01436 140.7
[M+HCOO]- 311.01530 166.8
[M+CH3COO]- 325.03095 164.4
[M+Na-2H]- 286.99177 157.8
[M]+ 266.01655 154.4
[M]- 266.01765 154.4
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

No patent data available for this compound.