CID 118024084

6-bromo-4-chloro-2-methylthieno[2,3-d]pyrimidine

Structural Information

Molecular Formula
C7H4BrClN2S
SMILES
CC1=NC2=C(C=C(S2)Br)C(=N1)Cl
InChI
InChI=1S/C7H4BrClN2S/c1-3-10-6(9)4-2-5(8)12-7(4)11-3/h2H,1H3
InChIKey
ATNNFHXJMVSRQX-UHFFFAOYSA-N
Compound name
6-bromo-4-chloro-2-methylthieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

261.8967 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.903976 133.5
[M+Na]+ 284.885918 151.9
[M-H]- 260.889424 140.2
[M+NH4]+ 279.930523 157.0
[M+K]+ 300.859858 138.8
[M+H-H2O]+ 244.893960 135.3
[M+HCOO]- 306.894901 147.0
[M+CH3COO]- 320.910551 150.8
[M+Na-2H]- 282.871366 140.5
[M]+ 261.89615142 158.5
[M]- 261.89724858 158.5
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