CID 28603585

3-fluoro-4-(4-methylpiperazin-1-yl)benzaldehyde

Structural Information

Molecular Formula
C12H15FN2O
SMILES
CN1CCN(CC1)C2=C(C=C(C=C2)C=O)F
InChI
InChI=1S/C12H15FN2O/c1-14-4-6-15(7-5-14)12-3-2-10(9-16)8-11(12)13/h2-3,8-9H,4-7H2,1H3
InChIKey
TZYOCMHJYISNCN-UHFFFAOYSA-N
Compound name
3-fluoro-4-(4-methylpiperazin-1-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

222.11684 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.12412 149.6
[M+Na]+ 245.10606 157.2
[M-H]- 221.10956 151.9
[M+NH4]+ 240.15066 165.3
[M+K]+ 261.08000 153.5
[M+H-H2O]+ 205.11410 140.2
[M+HCOO]- 267.11504 167.0
[M+CH3COO]- 281.13069 189.7
[M+Na-2H]- 243.09151 152.9
[M]+ 222.11629 145.5
[M]- 222.11739 145.5
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