CID 82512491

Sy475136

Structural Information

Molecular Formula
C11H16FN3
SMILES
CN1CCN(CC1)C2=CC(=C(C=C2)N)F
InChI
InChI=1S/C11H16FN3/c1-14-4-6-15(7-5-14)9-2-3-11(13)10(12)8-9/h2-3,8H,4-7,13H2,1H3
InChIKey
RBEFVHYJGRZDLO-UHFFFAOYSA-N
Compound name
2-fluoro-4-(4-methylpiperazin-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

209.13283 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14011 147.9
[M+Na]+ 232.12205 154.9
[M-H]- 208.12555 149.8
[M+NH4]+ 227.16665 163.7
[M+K]+ 248.09599 151.0
[M+H-H2O]+ 192.13009 138.5
[M+HCOO]- 254.13103 165.6
[M+CH3COO]- 268.14668 189.6
[M+Na-2H]- 230.10750 151.1
[M]+ 209.13228 141.0
[M]- 209.13338 141.0
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.