CID 121604311

1986905-26-3

Structural Information

Molecular Formula
C22H21F2NO4
SMILES
C1CC(CCC1(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)(F)F
InChI
InChI=1S/C22H21F2NO4/c23-22(24)11-9-21(10-12-22,19(26)27)25-20(28)29-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18H,9-13H2,(H,25,28)(H,26,27)
InChIKey
MWFXVPLXBNBPSU-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-difluorocyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.14386 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.15114 193.1
[M+Na]+ 424.13308 199.2
[M-H]- 400.13658 196.9
[M+NH4]+ 419.17768 210.2
[M+K]+ 440.10702 193.8
[M+H-H2O]+ 384.14112 184.0
[M+HCOO]- 446.14206 207.0
[M+CH3COO]- 460.15771 220.1
[M+Na-2H]- 422.11853 194.3
[M]+ 401.14331 189.3
[M]- 401.14441 189.3
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.