CID 137964025

(6,6-difluoro-7-oxoazepan-2-yl)methanesulfonyl chloride

Structural Information

Molecular Formula
C7H10ClF2NO3S
SMILES
C1CC(NC(=O)C(C1)(F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C7H10ClF2NO3S/c8-15(13,14)4-5-2-1-3-7(9,10)6(12)11-5/h5H,1-4H2,(H,11,12)
InChIKey
JRQAVOBTCNXPRC-UHFFFAOYSA-N
Compound name
(6,6-difluoro-7-oxoazepan-2-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.00378 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.01106 139.9
[M+Na]+ 283.99300 146.7
[M-H]- 259.99650 139.1
[M+NH4]+ 279.03760 156.4
[M+K]+ 299.96694 147.0
[M+H-H2O]+ 244.00104 133.6
[M+HCOO]- 306.00198 145.7
[M+CH3COO]- 320.01763 186.9
[M+Na-2H]- 281.97845 142.1
[M]+ 261.00323 134.5
[M]- 261.00433 134.5
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.