CID 22337036

491836-84-1

Structural Information

Molecular Formula
C12H15BrFNO2
SMILES
CC(C)(C)OC(=O)NCC1=C(C=CC(=C1)Br)F
InChI
InChI=1S/C12H15BrFNO2/c1-12(2,3)17-11(16)15-7-8-6-9(13)4-5-10(8)14/h4-6H,7H2,1-3H3,(H,15,16)
InChIKey
GQZRRHCPMBGKHE-UHFFFAOYSA-N
Compound name
tert-butyl N-[(5-bromo-2-fluorophenyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

303.027 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.03428 161.9
[M+Na]+ 326.01622 172.4
[M-H]- 302.01972 166.9
[M+NH4]+ 321.06082 180.8
[M+K]+ 341.99016 161.2
[M+H-H2O]+ 286.02426 160.3
[M+HCOO]- 348.02520 180.8
[M+CH3COO]- 362.04085 201.8
[M+Na-2H]- 324.00167 166.8
[M]+ 303.02645 180.7
[M]- 303.02755 180.7
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