CID 20030

Butyric acid, 4-(p-(bis(2-fluoroethyl)amino)phenyl)-

Structural Information

Molecular Formula
C14H19F2NO2
SMILES
C1=CC(=CC=C1CCCC(=O)O)N(CCF)CCF
InChI
InChI=1S/C14H19F2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)
InChIKey
NAFZHCNIHFKXOC-UHFFFAOYSA-N
Compound name
4-[4-[bis(2-fluoroethyl)amino]phenyl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.1384 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14568 162.3
[M+Na]+ 294.12762 167.3
[M-H]- 270.13112 162.4
[M+NH4]+ 289.17222 178.1
[M+K]+ 310.10156 164.6
[M+H-H2O]+ 254.13566 153.3
[M+HCOO]- 316.13660 182.7
[M+CH3COO]- 330.15225 202.7
[M+Na-2H]- 292.11307 163.6
[M]+ 271.13785 162.2
[M]- 271.13895 162.2
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.