CID 165749643

2803861-40-5

Structural Information

Molecular Formula
C12H14F4N2O2
SMILES
CC(C)(C)OC(=O)NCC1=C(C(=C(C(=C1F)F)N)F)F
InChI
InChI=1S/C12H14F4N2O2/c1-12(2,3)20-11(19)18-4-5-6(13)8(15)10(17)9(16)7(5)14/h4,17H2,1-3H3,(H,18,19)
InChIKey
WHENNGVAKOEXJN-UHFFFAOYSA-N
Compound name
tert-butyl N-[(4-amino-2,3,5,6-tetrafluorophenyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.09915 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10643 162.4
[M+Na]+ 317.08837 172.1
[M-H]- 293.09187 161.5
[M+NH4]+ 312.13297 178.1
[M+K]+ 333.06231 168.9
[M+H-H2O]+ 277.09641 153.1
[M+HCOO]- 339.09735 181.0
[M+CH3COO]- 353.11300 209.3
[M+Na-2H]- 315.07382 162.0
[M]+ 294.09860 158.6
[M]- 294.09970 158.6
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.