CID 2736227

3-bromo-2-chloro-6-fluorotoluene

Structural Information

Molecular Formula
C7H5BrClF
SMILES
CC1=C(C=CC(=C1Cl)Br)F
InChI
InChI=1S/C7H5BrClF/c1-4-6(10)3-2-5(8)7(4)9/h2-3H,1H3
InChIKey
VHQALVHKNXDJRY-UHFFFAOYSA-N
Compound name
1-bromo-2-chloro-4-fluoro-3-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

461
Patents

221.92471 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.93199 135.7
[M+Na]+ 244.91393 141.3
[M+NH4]+ 239.95853 141.7
[M+K]+ 260.88787 139.6
[M-H]- 220.91743 136.2
[M+Na-2H]- 242.89938 140.1
[M]+ 221.92416 135.9
[M]- 221.92526 135.9
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