CID 21063801

1260640-43-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

361.11258 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.11986 181.7
[M+Na]+ 384.10180 186.8
[M-H]- 360.10530 182.6
[M+NH4]+ 379.14640 196.5
[M+K]+ 400.07574 183.0
[M+H-H2O]+ 344.10984 173.2
[M+HCOO]- 406.11078 197.6
[M+CH3COO]- 420.12643 215.4
[M+Na-2H]- 382.08725 181.2
[M]+ 361.11203 181.1
[M]- 361.11313 181.1
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