CID 640537

2-chloropteridine

Structural Information

Molecular Formula
C6H3ClN4
SMILES
C1=CN=C2C(=N1)C=NC(=N2)Cl
InChI
InChI=1S/C6H3ClN4/c7-6-10-3-4-5(11-6)9-2-1-8-4/h1-3H
InChIKey
JISQBJRFTCXDEO-UHFFFAOYSA-N
Compound name
2-chloropteridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

166.00462 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.011896 128.6
[M+Na]+ 188.993838 140.5
[M-H]- 164.997344 127.7
[M+NH4]+ 184.038443 145.6
[M+K]+ 204.967778 136.0
[M+H-H2O]+ 149.001880 120.2
[M+HCOO]- 211.002821 143.8
[M+CH3COO]- 225.018471 141.8
[M+Na-2H]- 186.979286 140.5
[M]+ 166.00407142 130.3
[M]- 166.00516858 130.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe