CID 62119949

(4-fluoro-3-methylphenyl)methanesulfonyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 138.3
[M+Na]+ 244.98098 149.6
[M-H]- 220.98448 141.8
[M+NH4]+ 240.02558 158.7
[M+K]+ 260.95492 144.9
[M+H-H2O]+ 204.98902 133.5
[M+HCOO]- 266.98996 151.6
[M+CH3COO]- 281.00561 183.7
[M+Na-2H]- 242.96643 142.2
[M]+ 221.99121 142.6
[M]- 221.99231 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