CID 73602793

(2-fluoro-4-methylphenyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C8H8ClFO2S
SMILES
CC1=CC(=C(C=C1)CS(=O)(=O)Cl)F
InChI
InChI=1S/C8H8ClFO2S/c1-6-2-3-7(8(10)4-6)5-13(9,11)12/h2-4H,5H2,1H3
InChIKey
GHJJQQQLLHPEEZ-UHFFFAOYSA-N
Compound name
(2-fluoro-4-methylphenyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

221.99176 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.999036 138.3
[M+Na]+ 244.980978 149.6
[M-H]- 220.984484 141.8
[M+NH4]+ 240.025583 158.7
[M+K]+ 260.954918 144.9
[M+H-H2O]+ 204.989020 133.5
[M+HCOO]- 266.989961 151.6
[M+CH3COO]- 281.005611 183.7
[M+Na-2H]- 242.966426 142.2
[M]+ 221.99121142 142.6
[M]- 221.99230858 142.6
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