CID 58485316

2-chloro-5-(prop-1-en-2-yl)pyrimidine

Structural Information

Molecular Formula
C7H7ClN2
SMILES
CC(=C)C1=CN=C(N=C1)Cl
InChI
InChI=1S/C7H7ClN2/c1-5(2)6-3-9-7(8)10-4-6/h3-4H,1H2,2H3
InChIKey
YOHQZCZGJYLCEM-UHFFFAOYSA-N
Compound name
2-chloro-5-prop-1-en-2-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

154.02977 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.037046 127.3
[M+Na]+ 177.018988 137.4
[M-H]- 153.022494 128.4
[M+NH4]+ 172.063593 146.7
[M+K]+ 192.992928 133.7
[M+H-H2O]+ 137.027030 121.2
[M+HCOO]- 199.027971 144.5
[M+CH3COO]- 213.043621 175.7
[M+Na-2H]- 175.004436 134.5
[M]+ 154.02922142 128.4
[M]- 154.03031858 128.4
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

patents stripe