CID 574297

2,5-dibromo-3,6-difluorobenzenesulfonyl chloride

Structural Information

Molecular Formula
C6HBr2ClF2O2S
SMILES
C1=C(C(=C(C(=C1Br)F)S(=O)(=O)Cl)Br)F
InChI
InChI=1S/C6HBr2ClF2O2S/c7-2-1-3(10)4(8)6(5(2)11)14(9,12)13/h1H
InChIKey
OTBDNAGWXGDPNX-UHFFFAOYSA-N
Compound name
2,5-dibromo-3,6-difluorobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

367.77206 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.77934 135.5
[M+Na]+ 390.76128 151.1
[M-H]- 366.76478 141.9
[M+NH4]+ 385.80588 154.5
[M+K]+ 406.73522 132.8
[M+H-H2O]+ 350.76932 143.9
[M+HCOO]- 412.77026 143.2
[M+CH3COO]- 426.78591 208.5
[M+Na-2H]- 388.74673 141.2
[M]+ 367.77151 171.6
[M]- 367.77261 171.6
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

patents stripe