CID 22892799

2-((((9h-fluoren-9-yl)methoxy)carbonyl)amino)-3,3,3-trifluoropropanoic acid

Structural Information

Molecular Formula
C18H14F3NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(C(=O)O)C(F)(F)F
InChI
InChI=1S/C18H14F3NO4/c19-18(20,21)15(16(23)24)22-17(25)26-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14-15H,9H2,(H,22,25)(H,23,24)
InChIKey
GSEIXNCKLHONCZ-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3,3-trifluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

365.0875 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.09478 179.8
[M+Na]+ 388.07672 186.3
[M-H]- 364.08022 179.8
[M+NH4]+ 383.12132 194.7
[M+K]+ 404.05066 182.2
[M+H-H2O]+ 348.08476 171.2
[M+HCOO]- 410.08570 194.5
[M+CH3COO]- 424.10135 214.0
[M+Na-2H]- 386.06217 181.6
[M]+ 365.08695 177.8
[M]- 365.08805 177.8
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

patents stripe