CID 84686326

2-bromo-1-(difluoromethyl)-3-methylbenzene

Structural Information

Molecular Formula
C8H7BrF2
SMILES
CC1=C(C(=CC=C1)C(F)F)Br
InChI
InChI=1S/C8H7BrF2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,8H,1H3
InChIKey
MVZONGSQVAHXIJ-UHFFFAOYSA-N
Compound name
2-bromo-1-(difluoromethyl)-3-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

219.96992 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.977196 137.6
[M+Na]+ 242.959138 150.2
[M-H]- 218.962644 142.0
[M+NH4]+ 238.003743 160.0
[M+K]+ 258.933078 139.1
[M+H-H2O]+ 202.967180 136.8
[M+HCOO]- 264.968121 157.0
[M+CH3COO]- 278.983771 187.3
[M+Na-2H]- 240.944586 143.4
[M]+ 219.96937142 153.6
[M]- 219.97046858 153.6
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