CID 117236566

1057651-78-1

Structural Information

Molecular Formula
C12H16FNO3
SMILES
CC(C)(C)OC(=O)NC1=C(C=C(C=C1)F)CO
InChI
InChI=1S/C12H16FNO3/c1-12(2,3)17-11(16)14-10-5-4-9(13)6-8(10)7-15/h4-6,15H,7H2,1-3H3,(H,14,16)
InChIKey
HTTMOTQGTRGSJP-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-fluoro-2-(hydroxymethyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.11142 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11870 154.6
[M+Na]+ 264.10064 163.9
[M+NH4]+ 259.14524 160.3
[M+K]+ 280.07458 159.7
[M-H]- 240.10414 153.5
[M+Na-2H]- 262.08609 158.4
[M]+ 241.11087 155.3
[M]- 241.11197 155.3
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.