CID 155821261

2460750-39-2

Structural Information

Molecular Formula
C7H6BrF2N
SMILES
C1C2(CC1(C2)Br)C(C#N)(F)F
InChI
InChI=1S/C7H6BrF2N/c8-6-1-5(2-6,3-6)7(9,10)4-11/h1-3H2
InChIKey
SIHVAXVZGJWZIU-UHFFFAOYSA-N
Compound name
2-(3-bromo-1-bicyclo[1.1.1]pentanyl)-2,2-difluoroacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.96516 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.97244 132.9
[M+Na]+ 243.95438 142.3
[M-H]- 219.95788 136.5
[M+NH4]+ 238.99898 141.0
[M+K]+ 259.92832 141.1
[M+H-H2O]+ 203.96242 121.9
[M+HCOO]- 265.96336 143.3
[M+CH3COO]- 279.97901 219.3
[M+Na-2H]- 241.93983 142.3
[M]+ 220.96461 160.9
[M]- 220.96571 160.9
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.