CID 103663857

2-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)-2-[4-(trifluoromethyl)phenyl]acetic acid

Structural Information

Molecular Formula
C24H18F3NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(C4=CC=C(C=C4)C(F)(F)F)C(=O)O
InChI
InChI=1S/C24H18F3NO4/c25-24(26,27)15-11-9-14(10-12-15)21(22(29)30)28-23(31)32-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20-21H,13H2,(H,28,31)(H,29,30)
InChIKey
CGNVYWDHCWJPOR-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

441.1188 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.12608 201.4
[M+Na]+ 464.10802 207.1
[M-H]- 440.11152 204.5
[M+NH4]+ 459.15262 212.7
[M+K]+ 480.08196 201.7
[M+H-H2O]+ 424.11606 191.1
[M+HCOO]- 486.11700 215.2
[M+CH3COO]- 500.13265 229.0
[M+Na-2H]- 462.09347 201.7
[M]+ 441.11825 199.4
[M]- 441.11935 199.4
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