CID 146081998

6-ethynyl-2,2-difluorospiro[3.3]heptane

Structural Information

Molecular Formula
C9H10F2
SMILES
C#CC1CC2(C1)CC(C2)(F)F
InChI
InChI=1S/C9H10F2/c1-2-7-3-8(4-7)5-9(10,11)6-8/h1,7H,3-6H2
InChIKey
BPILMBHQRDJSRF-UHFFFAOYSA-N
Compound name
6-ethynyl-2,2-difluorospiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.07506 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08234 117.7
[M+Na]+ 179.06428 126.6
[M-H]- 155.06778 121.0
[M+NH4]+ 174.10888 128.6
[M+K]+ 195.03822 128.8
[M+H-H2O]+ 139.07232 102.1
[M+HCOO]- 201.07326 130.5
[M+CH3COO]- 215.08891 197.2
[M+Na-2H]- 177.04973 123.8
[M]+ 156.07451 124.5
[M]- 156.07561 124.5
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.