CID 6366774

3-fluoroprop-1-yl toluene-4-sulphonate

Structural Information

Molecular Formula
C10H13FO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCCF
InChI
InChI=1S/C10H13FO3S/c1-9-3-5-10(6-4-9)15(12,13)14-8-2-7-11/h3-6H,2,7-8H2,1H3
InChIKey
PYCKJIAEKJWSKM-UHFFFAOYSA-N
Compound name
3-fluoropropyl 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

297
Patents

232.05695 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.06423 146.6
[M+Na]+ 255.04617 155.3
[M-H]- 231.04967 149.2
[M+NH4]+ 250.09077 165.2
[M+K]+ 271.02011 152.4
[M+H-H2O]+ 215.05421 139.9
[M+HCOO]- 277.05515 164.0
[M+CH3COO]- 291.07080 186.7
[M+Na-2H]- 253.03162 150.4
[M]+ 232.05640 150.6
[M]- 232.05750 150.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe