CID 23312085

3-chloro-4-fluorobenzenesulfinic acid

Structural Information

Molecular Formula
C6H4ClFO2S
SMILES
C1=CC(=C(C=C1S(=O)O)Cl)F
InChI
InChI=1S/C6H4ClFO2S/c7-5-3-4(11(9)10)1-2-6(5)8/h1-3H,(H,9,10)
InChIKey
ZPRZKHDCZLUCJH-UHFFFAOYSA-N
Compound name
3-chloro-4-fluorobenzenesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

193.96045 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.96773 128.7
[M+Na]+ 216.94967 139.4
[M-H]- 192.95317 130.9
[M+NH4]+ 211.99427 149.3
[M+K]+ 232.92361 135.0
[M+H-H2O]+ 176.95771 124.3
[M+HCOO]- 238.95865 141.5
[M+CH3COO]- 252.97430 176.4
[M+Na-2H]- 214.93512 131.4
[M]+ 193.95990 131.0
[M]- 193.96100 131.0
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