CID 65499473

1394130-18-7

Structural Information

Molecular Formula
C11H12BrF2NO2
SMILES
CC(C)(C)OC(=O)NC1=C(C=C(C=C1F)Br)F
InChI
InChI=1S/C11H12BrF2NO2/c1-11(2,3)17-10(16)15-9-7(13)4-6(12)5-8(9)14/h4-5H,1-3H3,(H,15,16)
InChIKey
JQXHQUZTINRUNF-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-bromo-2,6-difluorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

307.00195 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.00923 160.5
[M+Na]+ 329.99117 172.4
[M-H]- 305.99467 164.7
[M+NH4]+ 325.03577 179.4
[M+K]+ 345.96511 161.0
[M+H-H2O]+ 289.99921 158.4
[M+HCOO]- 352.00015 178.7
[M+CH3COO]- 366.01580 202.7
[M+Na-2H]- 327.97662 164.7
[M]+ 307.00140 178.2
[M]- 307.00250 178.2
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

patents stripe