CID 139018290

2344681-55-4

Structural Information

Molecular Formula
C9H10BrF2N3
SMILES
C1CC(C1)(C2=NC=CC(=N2)C(F)(F)Br)N
InChI
InChI=1S/C9H10BrF2N3/c10-9(11,12)6-2-5-14-7(15-6)8(13)3-1-4-8/h2,5H,1,3-4,13H2
InChIKey
JHTXJQPBETVSST-UHFFFAOYSA-N
Compound name
1-[4-[bromo(difluoro)methyl]pyrimidin-2-yl]cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.00262 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.00990 147.8
[M+Na]+ 299.99184 158.0
[M-H]- 275.99534 151.5
[M+NH4]+ 295.03644 160.3
[M+K]+ 315.96578 149.3
[M+H-H2O]+ 259.99988 140.7
[M+HCOO]- 322.00082 162.8
[M+CH3COO]- 336.01647 197.9
[M+Na-2H]- 297.97729 155.7
[M]+ 277.00207 168.8
[M]- 277.00317 168.8
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.