CID 84708621

1-bromo-2-chloro-4-(1,1-difluoroethyl)benzene

Structural Information

Molecular Formula
C8H6BrClF2
SMILES
CC(C1=CC(=C(C=C1)Br)Cl)(F)F
InChI
InChI=1S/C8H6BrClF2/c1-8(11,12)5-2-3-6(9)7(10)4-5/h2-4H,1H3
InChIKey
LIAQKVDPILMVSA-UHFFFAOYSA-N
Compound name
1-bromo-2-chloro-4-(1,1-difluoroethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

253.93095 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.93823 142.5
[M+Na]+ 276.92017 156.9
[M-H]- 252.92367 147.0
[M+NH4]+ 271.96477 164.7
[M+K]+ 292.89411 143.6
[M+H-H2O]+ 236.92821 142.8
[M+HCOO]- 298.92915 157.0
[M+CH3COO]- 312.94480 190.4
[M+Na-2H]- 274.90562 149.7
[M]+ 253.93040 160.5
[M]- 253.93150 160.5
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