CID 46864087

2-chloro-5-cyclopropylpyrimidine

Structural Information

Molecular Formula
C7H7ClN2
SMILES
C1CC1C2=CN=C(N=C2)Cl
InChI
InChI=1S/C7H7ClN2/c8-7-9-3-6(4-10-7)5-1-2-5/h3-5H,1-2H2
InChIKey
CJFRIMRBHHUJKW-UHFFFAOYSA-N
Compound name
2-chloro-5-cyclopropylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

368
Patents

154.02977 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.03705 129.8
[M+Na]+ 177.01899 146.2
[M+NH4]+ 172.06359 139.8
[M+K]+ 192.99293 140.0
[M-H]- 153.02249 139.6
[M+Na-2H]- 175.00444 141.4
[M]+ 154.02922 136.3
[M]- 154.03032 136.3
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