CID 86649040

1034047-31-8

Structural Information

Molecular Formula
C10H8ClF3O2S
SMILES
C1CC1(C2=CC=C(C=C2)S(=O)(=O)Cl)C(F)(F)F
InChI
InChI=1S/C10H8ClF3O2S/c11-17(15,16)8-3-1-7(2-4-8)9(5-6-9)10(12,13)14/h1-4H,5-6H2
InChIKey
ABARQFVTRKTMQI-UHFFFAOYSA-N
Compound name
4-[1-(trifluoromethyl)cyclopropyl]benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

283.98856 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.99584 143.0
[M+Na]+ 306.97778 154.3
[M-H]- 282.98128 147.1
[M+NH4]+ 302.02238 157.2
[M+K]+ 322.95172 149.6
[M+H-H2O]+ 266.98582 136.2
[M+HCOO]- 328.98676 152.6
[M+CH3COO]- 343.00241 194.6
[M+Na-2H]- 304.96323 148.8
[M]+ 283.98801 146.2
[M]- 283.98911 146.2
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

patents stripe