CID 2774149

2,3-difluoro-4-methylbenzyl bromide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

219.96992 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.97720 143.1
[M+Na]+ 242.95914 146.8
[M+NH4]+ 238.00374 147.8
[M+K]+ 258.93308 145.4
[M-H]- 218.96264 142.1
[M+Na-2H]- 240.94459 146.0
[M]+ 219.96937 142.2
[M]- 219.97047 142.2
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