CID 154704630

2172536-70-6

Structural Information

Molecular Formula
C19H17F2NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N(CC(F)F)CC(=O)O
InChI
InChI=1S/C19H17F2NO4/c20-17(21)9-22(10-18(23)24)19(25)26-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H,23,24)
InChIKey
BTYXWNQCWONXMZ-UHFFFAOYSA-N
Compound name
2-[2,2-difluoroethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.11258 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.11986 182.1
[M+Na]+ 384.10180 187.6
[M-H]- 360.10530 184.4
[M+NH4]+ 379.14640 197.6
[M+K]+ 400.07574 184.5
[M+H-H2O]+ 344.10984 173.3
[M+HCOO]- 406.11078 199.5
[M+CH3COO]- 420.12643 217.7
[M+Na-2H]- 382.08725 181.9
[M]+ 361.11203 183.3
[M]- 361.11313 183.3
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.