CID 96667

Benzaldehyde, p-(bis(2-fluoroethyl)amino)-

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]+ 214.10381 144.3
[M+Na]+ 236.08575 151.4
[M-H]- 212.08925 146.4
[M+NH4]+ 231.13035 163.3
[M+K]+ 252.05969 149.3
[M+H-H2O]+ 196.09379 135.8
[M+HCOO]- 258.09473 168.0
[M+CH3COO]- 272.11038 193.4
[M+Na-2H]- 234.07120 149.0
[M]+ 213.09598 144.2
[M]- 213.09708 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.