CID 66110284

5-bromo-4-fluoro-2-(4-methylpiperazin-1-yl)aniline

Structural Information

Molecular Formula
C11H15BrFN3
SMILES
CN1CCN(CC1)C2=CC(=C(C=C2N)Br)F
InChI
InChI=1S/C11H15BrFN3/c1-15-2-4-16(5-3-15)11-7-9(13)8(12)6-10(11)14/h6-7H,2-5,14H2,1H3
InChIKey
SGHQEGFXYIEAHR-UHFFFAOYSA-N
Compound name
5-bromo-4-fluoro-2-(4-methylpiperazin-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

287.04333 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.05061 158.5
[M+Na]+ 310.03255 169.0
[M-H]- 286.03605 163.2
[M+NH4]+ 305.07715 175.1
[M+K]+ 326.00649 156.4
[M+H-H2O]+ 270.04059 155.5
[M+HCOO]- 332.04153 174.0
[M+CH3COO]- 346.05718 200.1
[M+Na-2H]- 308.01800 161.9
[M]+ 287.04278 171.0
[M]- 287.04388 171.0
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

patents stripe