CID 50998403

2-bromo-3,6-difluorotoluene

Structural Information

Molecular Formula
C7H5BrF2
SMILES
CC1=C(C=CC(=C1Br)F)F
InChI
InChI=1S/C7H5BrF2/c1-4-5(9)2-3-6(10)7(4)8/h2-3H,1H3
InChIKey
AAHSKQLPLMAVDC-UHFFFAOYSA-N
Compound name
2-bromo-1,4-difluoro-3-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

205.95427 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.96155 138.6
[M+Na]+ 228.94349 142.5
[M+NH4]+ 223.98809 143.4
[M+K]+ 244.91743 141.3
[M-H]- 204.94699 137.7
[M+Na-2H]- 226.92894 141.8
[M]+ 205.95372 137.7
[M]- 205.95482 137.7
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

patents stripe