CID 2778983

4-bromo-3,5-difluorobenzotrifluoride

Structural Information

Molecular Formula
C7H2BrF5
SMILES
C1=C(C=C(C(=C1F)Br)F)C(F)(F)F
InChI
InChI=1S/C7H2BrF5/c8-6-4(9)1-3(2-5(6)10)7(11,12)13/h1-2H
InChIKey
MJDJSTBBLBVDDK-UHFFFAOYSA-N
Compound name
2-bromo-1,3-difluoro-5-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

259.926 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.93328 145.1
[M+Na]+ 282.91522 159.8
[M-H]- 258.91872 146.3
[M+NH4]+ 277.95982 166.1
[M+K]+ 298.88916 147.6
[M+H-H2O]+ 242.92326 142.2
[M+HCOO]- 304.92420 161.1
[M+CH3COO]- 318.93985 192.5
[M+Na-2H]- 280.90067 150.3
[M]+ 259.92545 157.3
[M]- 259.92655 157.3
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