CID 2774150

2-(bromomethyl)-1,3-difluoro-4-methylbenzene

Structural Information

Molecular Formula
C8H7BrF2
SMILES
CC1=C(C(=C(C=C1)F)CBr)F
InChI
InChI=1S/C8H7BrF2/c1-5-2-3-7(10)6(4-9)8(5)11/h2-3H,4H2,1H3
InChIKey
IHFNXAURNLUMOH-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1,3-difluoro-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

219.96992 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.977196 136.3
[M+Na]+ 242.959138 150.0
[M-H]- 218.962644 140.9
[M+NH4]+ 238.003743 159.0
[M+K]+ 258.933078 138.6
[M+H-H2O]+ 202.967180 135.6
[M+HCOO]- 264.968121 156.6
[M+CH3COO]- 278.983771 187.5
[M+Na-2H]- 240.944586 142.7
[M]+ 219.96937142 153.2
[M]- 219.97046858 153.2
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