CID 165664763

2408970-08-9

Structural Information

Molecular Formula
C10H9ClF2O3S
SMILES
C1CC2=C(C=CC(=C2)S(=O)(=O)Cl)OC1C(F)F
InChI
InChI=1S/C10H9ClF2O3S/c11-17(14,15)7-2-4-8-6(5-7)1-3-9(16-8)10(12)13/h2,4-5,9-10H,1,3H2
InChIKey
FFCPTSNWPADZHN-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)-3,4-dihydro-2H-chromene-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.9929 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.00018 150.5
[M+Na]+ 304.98212 160.0
[M-H]- 280.98562 153.3
[M+NH4]+ 300.02672 167.6
[M+K]+ 320.95606 156.6
[M+H-H2O]+ 264.99016 144.5
[M+HCOO]- 326.99110 157.7
[M+CH3COO]- 341.00675 193.5
[M+Na-2H]- 302.96757 154.6
[M]+ 281.99235 152.1
[M]- 281.99345 152.1
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.