CID 154734048

1,1-difluoro-2-methylpent-4-en-2-ol

Structural Information

Molecular Formula
C6H10F2O
SMILES
CC(CC=C)(C(F)F)O
InChI
InChI=1S/C6H10F2O/c1-3-4-6(2,9)5(7)8/h3,5,9H,1,4H2,2H3
InChIKey
FWSPARZXUITALM-UHFFFAOYSA-N
Compound name
1,1-difluoro-2-methylpent-4-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.06998 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07726 125.7
[M+Na]+ 159.05920 133.1
[M-H]- 135.06270 122.2
[M+NH4]+ 154.10380 146.9
[M+K]+ 175.03314 131.9
[M+H-H2O]+ 119.06724 120.5
[M+HCOO]- 181.06818 143.8
[M+CH3COO]- 195.08383 172.2
[M+Na-2H]- 157.04465 130.6
[M]+ 136.06943 122.2
[M]- 136.07053 122.2
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.