CID 9853

Hexanethiol, 6-fluoro-

Structural Information

Molecular Formula
C6H13FS
SMILES
C(CCCS)CCF
InChI
InChI=1S/C6H13FS/c7-5-3-1-2-4-6-8/h8H,1-6H2
InChIKey
YEJIOOCWBINOSK-UHFFFAOYSA-N
Compound name
6-fluorohexane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

586
Patents

136.0722 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07948 125.8
[M+Na]+ 159.06142 133.1
[M-H]- 135.06492 124.9
[M+NH4]+ 154.10602 148.4
[M+K]+ 175.03536 131.7
[M+H-H2O]+ 119.06946 120.3
[M+HCOO]- 181.07040 143.1
[M+CH3COO]- 195.08605 174.1
[M+Na-2H]- 157.04687 128.7
[M]+ 136.07165 128.0
[M]- 136.07275 128.0
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