CID 252993

4-(1-aziridinyl)-6-bromocinnoline

Structural Information

Molecular Formula
C10H8BrN3
SMILES
C1CN1C2=CN=NC3=C2C=C(C=C3)Br
InChI
InChI=1S/C10H8BrN3/c11-7-1-2-9-8(5-7)10(6-12-13-9)14-3-4-14/h1-2,5-6H,3-4H2
InChIKey
KEBHXAPQDGLIEA-UHFFFAOYSA-N
Compound name
4-(aziridin-1-yl)-6-bromocinnoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.99016 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.99744 154.3
[M+Na]+ 271.97938 169.3
[M-H]- 247.98288 161.3
[M+NH4]+ 267.02398 168.2
[M+K]+ 287.95332 156.6
[M+H-H2O]+ 231.98742 152.2
[M+HCOO]- 293.98836 173.0
[M+CH3COO]- 308.00401 168.1
[M+Na-2H]- 269.96483 163.8
[M]+ 248.98961 174.0
[M]- 248.99071 174.0
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

No patent data available for this compound.