CID 79046104

5-bromo-n-(3-fluoro-5-methylphenyl)pyrimidin-2-amine

Structural Information

Molecular Formula
C11H9BrFN3
SMILES
CC1=CC(=CC(=C1)F)NC2=NC=C(C=N2)Br
InChI
InChI=1S/C11H9BrFN3/c1-7-2-9(13)4-10(3-7)16-11-14-5-8(12)6-15-11/h2-6H,1H3,(H,14,15,16)
InChIKey
JZBACINSWJSVNG-UHFFFAOYSA-N
Compound name
5-bromo-N-(3-fluoro-5-methylphenyl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.9964 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.00368 151.3
[M+Na]+ 303.98562 163.9
[M-H]- 279.98912 157.3
[M+NH4]+ 299.03022 168.4
[M+K]+ 319.95956 151.2
[M+H-H2O]+ 263.99366 148.4
[M+HCOO]- 325.99460 171.6
[M+CH3COO]- 340.01025 165.4
[M+Na-2H]- 301.97107 159.6
[M]+ 280.99585 168.6
[M]- 280.99695 168.6
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.