CID 96667

4-[bis(2-fluoroethyl)amino]benzaldehyde

Structural Information

Molecular Formula
C11H13F2NO
SMILES
C1=CC(=CC=C1C=O)N(CCF)CCF
InChI
InChI=1S/C11H13F2NO/c12-5-7-14(8-6-13)11-3-1-10(9-15)2-4-11/h1-4,9H,5-8H2
InChIKey
CAEWGNXPCYMVCH-UHFFFAOYSA-N
Compound name
4-[bis(2-fluoroethyl)amino]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.09653 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.103806 144.3
[M+Na]+ 236.085748 151.4
[M-H]- 212.089254 146.4
[M+NH4]+ 231.130353 163.3
[M+K]+ 252.059688 149.3
[M+H-H2O]+ 196.093790 135.8
[M+HCOO]- 258.094731 168.0
[M+CH3COO]- 272.110381 193.4
[M+Na-2H]- 234.071196 149.0
[M]+ 213.09598142 144.2
[M]- 213.09707858 144.2
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.