CID 165573201

2-fluoro-5-formylbenzene-1-sulfonylchloride

Structural Information

Molecular Formula
C7H4ClFO3S
SMILES
C1=CC(=C(C=C1C=O)S(=O)(=O)Cl)F
InChI
InChI=1S/C7H4ClFO3S/c8-13(11,12)7-3-5(4-10)1-2-6(7)9/h1-4H
InChIKey
AQYVRRVLDPOMEI-UHFFFAOYSA-N
Compound name
2-fluoro-5-formylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.95537 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.962646 136.1
[M+Na]+ 244.944588 147.9
[M-H]- 220.948094 139.8
[M+NH4]+ 239.989193 156.2
[M+K]+ 260.918528 143.3
[M+H-H2O]+ 204.952630 131.4
[M+HCOO]- 266.953571 150.1
[M+CH3COO]- 280.969221 181.8
[M+Na-2H]- 242.930036 140.6
[M]+ 221.95482142 140.7
[M]- 221.95591858 140.7
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.