CID 71710989

3-bromo-2-chloro-5-methylpyrazine

Structural Information

Molecular Formula
C5H4BrClN2
SMILES
CC1=CN=C(C(=N1)Br)Cl
InChI
InChI=1S/C5H4BrClN2/c1-3-2-8-5(7)4(6)9-3/h2H,1H3
InChIKey
YSIAGBFCCBWKPA-UHFFFAOYSA-N
Compound name
3-bromo-2-chloro-5-methylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

205.92464 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.931916 126.1
[M+Na]+ 228.913858 141.2
[M-H]- 204.917364 130.5
[M+NH4]+ 223.958463 147.6
[M+K]+ 244.887798 129.1
[M+H-H2O]+ 188.921900 126.7
[M+HCOO]- 250.922841 142.6
[M+CH3COO]- 264.938491 181.5
[M+Na-2H]- 226.899306 136.1
[M]+ 205.92409142 146.7
[M]- 205.92518858 146.7
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