CID 155970358

2639423-80-4

Structural Information

Molecular Formula
C7H9ClF2O3S
SMILES
C1C2(CC1(OC2)CS(=O)(=O)Cl)C(F)F
InChI
InChI=1S/C7H9ClF2O3S/c8-14(11,12)4-7-1-6(2-7,3-13-7)5(9)10/h5H,1-4H2
InChIKey
CAABBYAKGKBZGJ-UHFFFAOYSA-N
Compound name
[4-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.9929 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.00018 149.2
[M+Na]+ 268.98212 157.3
[M-H]- 244.98562 148.7
[M+NH4]+ 264.02672 170.9
[M+K]+ 284.95606 158.1
[M+H-H2O]+ 228.99016 144.4
[M+HCOO]- 290.99110 154.5
[M+CH3COO]- 305.00675 189.8
[M+Na-2H]- 266.96757 156.9
[M]+ 245.99235 165.6
[M]- 245.99345 165.6
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

No patent data available for this compound.