CID 66037778

1-[(4-bromophenyl)sulfanyl]cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C10H9BrO2S
SMILES
C1CC1(C(=O)O)SC2=CC=C(C=C2)Br
InChI
InChI=1S/C10H9BrO2S/c11-7-1-3-8(4-2-7)14-10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13)
InChIKey
SFWAOLQFGQIPAY-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)sulfanylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.95065 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.95793 138.7
[M+Na]+ 294.93987 151.8
[M-H]- 270.94337 147.8
[M+NH4]+ 289.98447 156.0
[M+K]+ 310.91381 140.3
[M+H-H2O]+ 254.94791 139.7
[M+HCOO]- 316.94885 154.4
[M+CH3COO]- 330.96450 191.8
[M+Na-2H]- 292.92532 145.0
[M]+ 271.95010 160.6
[M]- 271.95120 160.6
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.