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]+ 222.96265 136.1
[M+Na]+ 244.94459 147.9
[M-H]- 220.94809 139.8
[M+NH4]+ 239.98919 156.2
[M+K]+ 260.91853 143.3
[M+H-H2O]+ 204.95263 131.4
[M+HCOO]- 266.95357 150.1
[M+CH3COO]- 280.96922 181.8
[M+Na-2H]- 242.93004 140.6
[M]+ 221.95482 140.7
[M]- 221.95592 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.