CID 58485316

1383968-60-2

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

7
Patents

154.02977 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.03705 127.3
[M+Na]+ 177.01899 137.4
[M-H]- 153.02249 128.4
[M+NH4]+ 172.06359 146.7
[M+K]+ 192.99293 133.7
[M+H-H2O]+ 137.02703 121.2
[M+HCOO]- 199.02797 144.5
[M+CH3COO]- 213.04362 175.7
[M+Na-2H]- 175.00444 134.5
[M]+ 154.02922 128.4
[M]- 154.03032 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