CID 44717757

886502-18-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
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 133.0
[M+Na]+ 224.96856 145.9
[M-H]- 200.97206 138.7
[M+NH4]+ 220.01316 156.3
[M+K]+ 240.94250 134.9
[M+H-H2O]+ 184.97660 133.1
[M+HCOO]- 246.97754 154.4
[M+CH3COO]- 260.99319 183.9
[M+Na-2H]- 222.95401 140.8
[M]+ 201.97879 150.8
[M]- 201.97989 150.8
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