CID 165845527

2758003-20-0

Structural Information

Molecular Formula
C13H17BrFNO2
SMILES
CC(C)(C)OC(=O)NCC1=C(C=C(C=C1)CBr)F
InChI
InChI=1S/C13H17BrFNO2/c1-13(2,3)18-12(17)16-8-10-5-4-9(7-14)6-11(10)15/h4-6H,7-8H2,1-3H3,(H,16,17)
InChIKey
ZCEZQEJAQKWIBM-UHFFFAOYSA-N
Compound name
tert-butyl N-[[4-(bromomethyl)-2-fluorophenyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.04266 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.04994 166.5
[M+Na]+ 340.03188 176.7
[M-H]- 316.03538 171.4
[M+NH4]+ 335.07648 184.9
[M+K]+ 356.00582 165.3
[M+H-H2O]+ 300.03992 164.8
[M+HCOO]- 362.04086 185.2
[M+CH3COO]- 376.05651 204.6
[M+Na-2H]- 338.01733 171.0
[M]+ 317.04211 185.7
[M]- 317.04321 185.7
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

No patent data available for this compound.