CID 137942772

2287297-77-0

Structural Information

Molecular Formula
C7H4BrF3O2S
SMILES
C1=CC=C(C(=C1)F)S(=O)(=O)C(F)(F)Br
InChI
InChI=1S/C7H4BrF3O2S/c8-7(10,11)14(12,13)6-4-2-1-3-5(6)9/h1-4H
InChIKey
NNGWREVMTCAKEI-UHFFFAOYSA-N
Compound name
1-[bromo(difluoro)methyl]sulfonyl-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.90674 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.91402 142.3
[M+Na]+ 310.89596 156.2
[M-H]- 286.89946 145.8
[M+NH4]+ 305.94056 162.4
[M+K]+ 326.86990 143.9
[M+H-H2O]+ 270.90400 141.0
[M+HCOO]- 332.90494 155.0
[M+CH3COO]- 346.92059 191.6
[M+Na-2H]- 308.88141 148.8
[M]+ 287.90619 159.6
[M]- 287.90729 159.6
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.