CID 369186

111873-46-2

Structural Information

Molecular Formula
C9H7IO2
SMILES
C12C3C4C1(C5C2C3(C45)I)C(=O)O
InChI
InChI=1S/C9H7IO2/c10-9-4-1-5(9)3-6(9)2(4)8(1,3)7(11)12/h1-6H,(H,11,12)
InChIKey
UQMHINRLKQGLQV-UHFFFAOYSA-N
Compound name
4-iodocubane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

273.94907 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.95635 201.2
[M+Na]+ 296.93829 200.1
[M-H]- 272.94179 203.0
[M+NH4]+ 291.98289 196.7
[M+K]+ 312.91223 205.4
[M+H-H2O]+ 256.94633 189.8
[M+HCOO]- 318.94727 201.7
[M+CH3COO]- 332.96292 259.9
[M+Na-2H]- 294.92374 193.3
[M]+ 273.94852 218.9
[M]- 273.94962 218.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe