CID 42609291

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

Structural Information

Molecular Formula
C6H4ClN3
SMILES
C1=C(C2=CN=CN=C2N1)Cl
InChI
InChI=1S/C6H4ClN3/c7-5-2-9-6-4(5)1-8-3-10-6/h1-3H,(H,8,9,10)
InChIKey
LRBDMVYIUGZSKX-UHFFFAOYSA-N
Compound name
5-chloro-7H-pyrrolo[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

153.00937 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.01665 125.0
[M+Na]+ 175.99859 137.5
[M-H]- 152.00209 124.7
[M+NH4]+ 171.04319 145.3
[M+K]+ 191.97253 132.5
[M+H-H2O]+ 136.00663 118.2
[M+HCOO]- 198.00757 142.4
[M+CH3COO]- 212.02322 139.1
[M+Na-2H]- 173.98404 134.5
[M]+ 153.00882 126.6
[M]- 153.00992 126.6
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