CID 21934064

4-bromo-2-fluorothioanisole

Structural Information

Molecular Formula
C7H6BrFS
SMILES
CSC1=C(C=C(C=C1)Br)F
InChI
InChI=1S/C7H6BrFS/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
InChIKey
YHOVMTICYSGLFD-UHFFFAOYSA-N
Compound name
4-bromo-2-fluoro-1-methylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

219.93576 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.94304 127.2
[M+Na]+ 242.92498 131.4
[M+NH4]+ 237.96958 133.4
[M+K]+ 258.89892 129.1
[M-H]- 218.92848 128.0
[M+Na-2H]- 240.91043 131.6
[M]+ 219.93521 127.3
[M]- 219.93631 127.3
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