CID 3732707

862539-91-1

Structural Information

Molecular Formula
C8H8BrF
SMILES
CC1=C(C=CC(=C1)F)CBr
InChI
InChI=1S/C8H8BrF/c1-6-4-8(10)3-2-7(6)5-9/h2-4H,5H2,1H3
InChIKey
DAKPIAWEPVZDNG-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-fluoro-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

201.97934 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.98662 135.7
[M+Na]+ 224.96856 140.0
[M+NH4]+ 220.01316 141.3
[M+K]+ 240.94250 138.7
[M-H]- 200.97206 136.1
[M+Na-2H]- 222.95401 139.9
[M]+ 201.97879 135.3
[M]- 201.97989 135.3
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