CID 119021529

2-bromo-1-(difluoromethyl)-3,5-difluorobenzene

Structural Information

Molecular Formula
C7H3BrF4
SMILES
C1=C(C=C(C(=C1C(F)F)Br)F)F
InChI
InChI=1S/C7H3BrF4/c8-6-4(7(11)12)1-3(9)2-5(6)10/h1-2,7H
InChIKey
DPUMTGSJQIIFBE-UHFFFAOYSA-N
Compound name
2-bromo-1-(difluoromethyl)-3,5-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.93542 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.942696 140.2
[M+Na]+ 264.924638 154.1
[M-H]- 240.928144 142.4
[M+NH4]+ 259.969243 161.7
[M+K]+ 280.898578 142.3
[M+H-H2O]+ 224.932680 137.8
[M+HCOO]- 286.933621 157.7
[M+CH3COO]- 300.949271 190.8
[M+Na-2H]- 262.910086 144.4
[M]+ 241.93487142 153.7
[M]- 241.93596858 153.7
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.