CID 146082016

2408958-11-0

Structural Information

Molecular Formula
C7H7BrF2O2
SMILES
C1C2(CC1(C2)Br)C(C(=O)O)(F)F
InChI
InChI=1S/C7H7BrF2O2/c8-6-1-5(2-6,3-6)7(9,10)4(11)12/h1-3H2,(H,11,12)
InChIKey
QVQVGRAKJWUJTR-UHFFFAOYSA-N
Compound name
2-(3-bromo-1-bicyclo[1.1.1]pentanyl)-2,2-difluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.95975 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.96703 149.3
[M+Na]+ 262.94897 156.2
[M-H]- 238.95247 152.0
[M+NH4]+ 257.99357 156.4
[M+K]+ 278.92291 154.6
[M+H-H2O]+ 222.95701 141.8
[M+HCOO]- 284.95795 157.7
[M+CH3COO]- 298.97360 211.7
[M+Na-2H]- 260.93442 156.8
[M]+ 239.95920 183.5
[M]- 239.96030 183.5
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.