CID 16227062

1-(bromomethyl)-4-[(difluoromethyl)sulfonyl]benzene

Structural Information

Molecular Formula
C8H7BrF2O2S
SMILES
C1=CC(=CC=C1CBr)S(=O)(=O)C(F)F
InChI
InChI=1S/C8H7BrF2O2S/c9-5-6-1-3-7(4-2-6)14(12,13)8(10)11/h1-4,8H,5H2
InChIKey
OVBMBMKLODKZGR-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-(difluoromethylsulfonyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

283.93182 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.93910 144.3
[M+Na]+ 306.92104 145.7
[M+NH4]+ 301.96564 147.7
[M+K]+ 322.89498 145.3
[M-H]- 282.92454 141.5
[M+Na-2H]- 304.90649 146.3
[M]+ 283.93127 142.8
[M]- 283.93237 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe