CID 63648806

(3-fluoro-4-methylphenyl)methanesulfonyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

221.99176 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.99904 143.5
[M+Na]+ 244.98098 156.2
[M+NH4]+ 240.02558 151.6
[M+K]+ 260.95492 148.0
[M-H]- 220.98448 143.5
[M+Na-2H]- 242.96643 149.0
[M]+ 221.99121 146.0
[M]- 221.99231 146.0
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