CID 137698806

1959608-04-8

Structural Information

Molecular Formula
C9H4ClF7O2S
SMILES
C1=CC(=CC=C1C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)Cl
InChI
InChI=1S/C9H4ClF7O2S/c10-20(18,19)6-3-1-5(2-4-6)7(11,8(12,13)14)9(15,16)17/h1-4H
InChIKey
XLDCXSQWDHVGPF-UHFFFAOYSA-N
Compound name
4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.95087 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.95815 157.4
[M+Na]+ 366.94009 168.4
[M-H]- 342.94359 153.1
[M+NH4]+ 361.98469 171.9
[M+K]+ 382.91403 162.6
[M+H-H2O]+ 326.94813 147.4
[M+HCOO]- 388.94907 159.7
[M+CH3COO]- 402.96472 202.6
[M+Na-2H]- 364.92554 161.3
[M]+ 343.95032 152.3
[M]- 343.95142 152.3
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.