CID 155819980

2567498-42-2

Structural Information

Molecular Formula
C7H7F2IO2
SMILES
C1C2(CC1(C2)I)C(C(=O)O)(F)F
InChI
InChI=1S/C7H7F2IO2/c8-7(9,4(11)12)5-1-6(10,2-5)3-5/h1-3H2,(H,11,12)
InChIKey
QQNVTSCGYUYVFZ-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-(3-iodo-1-bicyclo[1.1.1]pentanyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.9459 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.95318 160.9
[M+Na]+ 310.93512 160.1
[M-H]- 286.93862 156.5
[M+NH4]+ 305.97972 163.3
[M+K]+ 326.90906 169.0
[M+H-H2O]+ 270.94316 146.0
[M+HCOO]- 332.94410 166.7
[M+CH3COO]- 346.95975 212.7
[M+Na-2H]- 308.92057 157.6
[M]+ 287.94535 179.8
[M]- 287.94645 179.8
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.