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

16
Patents

261.8967 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.90398 133.5
[M+Na]+ 284.88592 151.9
[M-H]- 260.88942 140.2
[M+NH4]+ 279.93052 157.0
[M+K]+ 300.85986 138.8
[M+H-H2O]+ 244.89396 135.3
[M+HCOO]- 306.89490 147.0
[M+CH3COO]- 320.91055 150.8
[M+Na-2H]- 282.87137 140.5
[M]+ 261.89615 158.5
[M]- 261.89725 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