CID 154872923

4-bromo-3,5-bis(difluoromethyl)aniline

Structural Information

Molecular Formula
C8H6BrF4N
SMILES
C1=C(C=C(C(=C1C(F)F)Br)C(F)F)N
InChI
InChI=1S/C8H6BrF4N/c9-6-4(7(10)11)1-3(14)2-5(6)8(12)13/h1-2,7-8H,14H2
InChIKey
QDHMUDIERZHLQN-UHFFFAOYSA-N
Compound name
4-bromo-3,5-bis(difluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.96198 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.96926 151.0
[M+Na]+ 293.95120 163.2
[M-H]- 269.95470 152.3
[M+NH4]+ 288.99580 170.6
[M+K]+ 309.92514 150.8
[M+H-H2O]+ 253.95924 147.3
[M+HCOO]- 315.96018 167.4
[M+CH3COO]- 329.97583 198.2
[M+Na-2H]- 291.93665 152.4
[M]+ 270.96143 162.4
[M]- 270.96253 162.4
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.