CID 15710928

4,4-difluoro-3,3-dimethylbut-1-yne

Structural Information

Molecular Formula
C6H8F2
SMILES
CC(C)(C#C)C(F)F
InChI
InChI=1S/C6H8F2/c1-4-6(2,3)5(7)8/h1,5H,2-3H3
InChIKey
HMZDSVXYZDDVFT-UHFFFAOYSA-N
Compound name
4,4-difluoro-3,3-dimethylbut-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

118.05941 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.06669 119.0
[M+Na]+ 141.04863 128.7
[M-H]- 117.05213 116.7
[M+NH4]+ 136.09323 139.2
[M+K]+ 157.02257 127.6
[M+H-H2O]+ 101.05667 107.9
[M+HCOO]- 163.05761 133.3
[M+CH3COO]- 177.07326 181.5
[M+Na-2H]- 139.03408 124.0
[M]+ 118.05886 111.1
[M]- 118.05996 111.1
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

patents stripe