CID 165908502

4-bromo-2-methoxy-5-methylbenzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C8H8BrFO3S
SMILES
CC1=CC(=C(C=C1Br)OC)S(=O)(=O)F
InChI
InChI=1S/C8H8BrFO3S/c1-5-3-8(14(10,11)12)7(13-2)4-6(5)9/h3-4H,1-2H3
InChIKey
JEKQFXUYPSGDIM-UHFFFAOYSA-N
Compound name
4-bromo-2-methoxy-5-methylbenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.93616 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.94344 139.7
[M+Na]+ 304.92538 154.1
[M-H]- 280.92888 146.0
[M+NH4]+ 299.96998 160.5
[M+K]+ 320.89932 142.5
[M+H-H2O]+ 264.93342 139.7
[M+HCOO]- 326.93436 155.6
[M+CH3COO]- 340.95001 192.9
[M+Na-2H]- 302.91083 145.2
[M]+ 281.93561 162.1
[M]- 281.93671 162.1
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

No patent data available for this compound.