CID 62406

Trifluoromethanesulfonic acid

Structural Information

Molecular Formula
CHF3O3S
SMILES
C(F)(F)(F)S(=O)(=O)O
InChI
InChI=1S/CHF3O3S/c2-1(3,4)8(5,6)7/h(H,5,6,7)
InChIKey
ITMCEJHCFYSIIV-UHFFFAOYSA-N
Compound name
trifluoromethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

1781
References

168143
Patents

149.95985 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.967126 118.0
[M+Na]+ 172.949068 127.9
[M-H]- 148.952574 114.0
[M+NH4]+ 167.993673 138.8
[M+K]+ 188.923008 126.5
[M+H-H2O]+ 132.957110 112.1
[M+HCOO]- 194.958051 131.3
[M+CH3COO]- 208.973701 165.9
[M+Na-2H]- 170.934516 123.4
[M]+ 149.95930142 115.6
[M]- 149.96039858 115.6
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