CID 72210247

886768-81-6

Structural Information

Molecular Formula
C15H20F2N2O2
SMILES
CC(C)(C)OC(=O)N1CCNC(C1)C2=CC(=C(C=C2)F)F
InChI
InChI=1S/C15H20F2N2O2/c1-15(2,3)21-14(20)19-7-6-18-13(9-19)10-4-5-11(16)12(17)8-10/h4-5,8,13,18H,6-7,9H2,1-3H3
InChIKey
QBNNRKZKLMCXLQ-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3,4-difluorophenyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

298.1493 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.15658 172.6
[M+Na]+ 321.13852 181.7
[M+NH4]+ 316.18312 177.2
[M+K]+ 337.11246 176.9
[M-H]- 297.14202 170.7
[M+Na-2H]- 319.12397 175.7
[M]+ 298.14875 173.0
[M]- 298.14985 173.0
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