CID 84710982

7-bromo-2-(difluoromethyl)-1-benzothiophene

Structural Information

Molecular Formula
C9H5BrF2S
SMILES
C1=CC2=C(C(=C1)Br)SC(=C2)C(F)F
InChI
InChI=1S/C9H5BrF2S/c10-6-3-1-2-5-4-7(9(11)12)13-8(5)6/h1-4,9H
InChIKey
RLJLHMNEYWCNNX-UHFFFAOYSA-N
Compound name
7-bromo-2-(difluoromethyl)-1-benzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.92633 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.93361 140.2
[M+Na]+ 284.91555 155.6
[M-H]- 260.91905 146.3
[M+NH4]+ 279.96015 164.7
[M+K]+ 300.88949 143.4
[M+H-H2O]+ 244.92359 140.3
[M+HCOO]- 306.92453 156.7
[M+CH3COO]- 320.94018 156.4
[M+Na-2H]- 282.90100 144.7
[M]+ 261.92578 160.2
[M]- 261.92688 160.2
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.