CID 155891760

2296988-69-5

Structural Information

Molecular Formula
C21H19F2NO4
SMILES
CN(C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C4(CC(C4)(F)F)C(=O)O
InChI
InChI=1S/C21H19F2NO4/c1-24(20(18(25)26)11-21(22,23)12-20)19(27)28-10-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17H,10-12H2,1H3,(H,25,26)
InChIKey
BQEGKUIQVHOTLS-UHFFFAOYSA-N
Compound name
1-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3,3-difluorocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.1282 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.13548 194.1
[M+Na]+ 410.11742 199.9
[M-H]- 386.12092 199.8
[M+NH4]+ 405.16202 206.0
[M+K]+ 426.09136 199.3
[M+H-H2O]+ 370.12546 181.0
[M+HCOO]- 432.12640 209.6
[M+CH3COO]- 446.14205 223.5
[M+Na-2H]- 408.10287 194.4
[M]+ 387.12765 203.2
[M]- 387.12875 203.2
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.