CID 107333939

1691774-25-0

Structural Information

Molecular Formula
C11H15FN2O2
SMILES
CC(C)(C)OC(=O)NC1=CC(=CC(=C1)N)F
InChI
InChI=1S/C11H15FN2O2/c1-11(2,3)16-10(15)14-9-5-7(12)4-8(13)6-9/h4-6H,13H2,1-3H3,(H,14,15)
InChIKey
MKRKHDCESRRTPZ-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-amino-5-fluorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.11176 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.11904 150.3
[M+Na]+ 249.10098 159.2
[M+NH4]+ 244.14558 156.4
[M+K]+ 265.07492 155.1
[M-H]- 225.10448 150.3
[M+Na-2H]- 247.08643 154.6
[M]+ 226.11121 151.2
[M]- 226.11231 151.2
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.