CID 60921488

4-bromo-n-(2,2-difluoroethyl)-2,6-dimethylaniline

Structural Information

Molecular Formula
C10H12BrF2N
SMILES
CC1=CC(=CC(=C1NCC(F)F)C)Br
InChI
InChI=1S/C10H12BrF2N/c1-6-3-8(11)4-7(2)10(6)14-5-9(12)13/h3-4,9,14H,5H2,1-2H3
InChIKey
CTQGARNFPUPOFX-UHFFFAOYSA-N
Compound name
4-bromo-N-(2,2-difluoroethyl)-2,6-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.01212 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.01940 151.0
[M+Na]+ 286.00134 162.6
[M-H]- 262.00484 155.0
[M+NH4]+ 281.04594 171.5
[M+K]+ 301.97528 150.5
[M+H-H2O]+ 246.00938 148.8
[M+HCOO]- 308.01032 170.4
[M+CH3COO]- 322.02597 198.4
[M+Na-2H]- 283.98679 155.0
[M]+ 263.01157 167.0
[M]- 263.01267 167.0
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.