CID 12476475

89326-17-0

Structural Information

Molecular Formula
C2H3F5O2S
SMILES
C(C(=O)O)S(F)(F)(F)(F)F
InChI
InChI=1S/C2H3F5O2S/c3-10(4,5,6,7)1-2(8)9/h1H2,(H,8,9)
InChIKey
LUVNRBGIHXZACQ-UHFFFAOYSA-N
Compound name
2-(pentafluoro-lambda6-sulfanyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

185.97739 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.98467 118.5
[M+Na]+ 208.96661 128.2
[M-H]- 184.97011 112.0
[M+NH4]+ 204.01121 138.0
[M+K]+ 224.94055 126.1
[M+H-H2O]+ 168.97465 111.2
[M+HCOO]- 230.97559 130.0
[M+CH3COO]- 244.99124 175.4
[M+Na-2H]- 206.95206 118.7
[M]+ 185.97684 113.2
[M]- 185.97794 113.2
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