CID 11321224

4-chloro-5-fluoro-7h-pyrrolo[2,3-d]pyrimidine

Structural Information

Molecular Formula
C6H3ClFN3
SMILES
C1=C(C2=C(N1)N=CN=C2Cl)F
InChI
InChI=1S/C6H3ClFN3/c7-5-4-3(8)1-9-6(4)11-2-10-5/h1-2H,(H,9,10,11)
InChIKey
OOBFPXOXHUBRDN-UHFFFAOYSA-N
Compound name
4-chloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

441
Patents

170.99995 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.00723 126.9
[M+Na]+ 193.98917 140.4
[M-H]- 169.99267 125.7
[M+NH4]+ 189.03377 146.8
[M+K]+ 209.96311 134.9
[M+H-H2O]+ 153.99721 119.5
[M+HCOO]- 215.99815 143.3
[M+CH3COO]- 230.01380 140.9
[M+Na-2H]- 191.97462 135.2
[M]+ 170.99940 128.0
[M]- 171.00050 128.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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