CID 126981069

1857222-37-7

Structural Information

Molecular Formula
C7H12BrF2NO2
SMILES
CC(C)(C)OC(=O)NCC(F)(F)Br
InChI
InChI=1S/C7H12BrF2NO2/c1-6(2,3)13-5(12)11-4-7(8,9)10/h4H2,1-3H3,(H,11,12)
InChIKey
MCEBUBZJXLIARS-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-bromo-2,2-difluoroethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.00195 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.00923 151.2
[M+Na]+ 281.99117 161.5
[M-H]- 257.99467 151.8
[M+NH4]+ 277.03577 171.5
[M+K]+ 297.96511 151.4
[M+H-H2O]+ 241.99921 150.0
[M+HCOO]- 304.00015 167.7
[M+CH3COO]- 318.01580 192.9
[M+Na-2H]- 279.97662 157.5
[M]+ 259.00140 167.9
[M]- 259.00250 167.9
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.