CID 137943403

2260936-31-8

Structural Information

Molecular Formula
C23H23F2NO4
SMILES
C1CN(CCC(C1CC(=O)O)(F)F)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C23H23F2NO4/c24-23(25)10-12-26(11-9-15(23)13-21(27)28)22(29)30-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20H,9-14H2,(H,27,28)
InChIKey
IFPYGKVUKNETJL-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-5,5-difluoroazepan-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.15952 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.16680 194.9
[M+Na]+ 438.14874 200.3
[M-H]- 414.15224 199.1
[M+NH4]+ 433.19334 208.0
[M+K]+ 454.12268 198.3
[M+H-H2O]+ 398.15678 186.3
[M+HCOO]- 460.15772 206.3
[M+CH3COO]- 474.17337 202.5
[M+Na-2H]- 436.13419 193.2
[M]+ 415.15897 189.7
[M]- 415.16007 189.7
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.