CID 82512491

2-fluoro-4-(4-methylpiperazin-1-yl)aniline dihydrochloride

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]+ 210.140106 147.9
[M+Na]+ 232.122048 154.9
[M-H]- 208.125554 149.8
[M+NH4]+ 227.166653 163.7
[M+K]+ 248.095988 151.0
[M+H-H2O]+ 192.130090 138.5
[M+HCOO]- 254.131031 165.6
[M+CH3COO]- 268.146681 189.6
[M+Na-2H]- 230.107496 151.1
[M]+ 209.13228142 141.0
[M]- 209.13337858 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.