CID 84799502

Tert-butyl n-(2-fluoro-3-formylphenyl)carbamate

Structural Information

Molecular Formula
C12H14FNO3
SMILES
CC(C)(C)OC(=O)NC1=CC=CC(=C1F)C=O
InChI
InChI=1S/C12H14FNO3/c1-12(2,3)17-11(16)14-9-6-4-5-8(7-15)10(9)13/h4-7H,1-3H3,(H,14,16)
InChIKey
QYFNYYABRKJZRV-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-fluoro-3-formylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.09576 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10304 151.1
[M+Na]+ 262.08498 159.2
[M-H]- 238.08848 154.0
[M+NH4]+ 257.12958 169.0
[M+K]+ 278.05892 157.5
[M+H-H2O]+ 222.09302 144.5
[M+HCOO]- 284.09396 173.2
[M+CH3COO]- 298.10961 193.8
[M+Na-2H]- 260.07043 155.7
[M]+ 239.09521 152.6
[M]- 239.09631 152.6
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.