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]+ 223.124116 149.6
[M+Na]+ 245.106058 157.2
[M-H]- 221.109564 151.9
[M+NH4]+ 240.150663 165.3
[M+K]+ 261.079998 153.5
[M+H-H2O]+ 205.114100 140.2
[M+HCOO]- 267.115041 167.0
[M+CH3COO]- 281.130691 189.7
[M+Na-2H]- 243.091506 152.9
[M]+ 222.11629142 145.5
[M]- 222.11738858 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