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]+ 272.145676 162.3
[M+Na]+ 294.127618 167.3
[M-H]- 270.131124 162.4
[M+NH4]+ 289.172223 178.1
[M+K]+ 310.101558 164.6
[M+H-H2O]+ 254.135660 153.3
[M+HCOO]- 316.136601 182.7
[M+CH3COO]- 330.152251 202.7
[M+Na-2H]- 292.113066 163.6
[M]+ 271.13785142 162.2
[M]- 271.13894858 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.