CID 19818837

Zinc difluoromethanesulfinate

Structural Information

Molecular Formula
CH2F2O2S
SMILES
C(F)(F)S(=O)O
InChI
InChI=1S/CH2F2O2S/c2-1(3)6(4)5/h1H,(H,4,5)
InChIKey
PFTYKBCYTNZWCX-UHFFFAOYSA-N
Compound name
difluoromethanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

512
Patents

115.97436 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.98164 112.6
[M+Na]+ 138.96358 121.0
[M-H]- 114.96708 109.6
[M+NH4]+ 134.00818 134.7
[M+K]+ 154.93752 120.4
[M+H-H2O]+ 98.971620 106.8
[M+HCOO]- 160.97256 127.4
[M+CH3COO]- 174.98821 163.6
[M+Na-2H]- 136.94903 114.6
[M]+ 115.97381 110.6
[M]- 115.97491 110.6
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