CID 84020623

(2,2-difluorocyclopentyl)methanol

Structural Information

Molecular Formula
C6H10F2O
SMILES
C1CC(C(C1)(F)F)CO
InChI
InChI=1S/C6H10F2O/c7-6(8)3-1-2-5(6)4-9/h5,9H,1-4H2
InChIKey
RUAMLEDOUZLLGY-UHFFFAOYSA-N
Compound name
(2,2-difluorocyclopentyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

136.06998 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07726 124.0
[M+Na]+ 159.05920 132.0
[M-H]- 135.06270 123.8
[M+NH4]+ 154.10380 148.9
[M+K]+ 175.03314 130.4
[M+H-H2O]+ 119.06724 118.7
[M+HCOO]- 181.06818 143.9
[M+CH3COO]- 195.08383 168.7
[M+Na-2H]- 157.04465 128.5
[M]+ 136.06943 118.4
[M]- 136.07053 118.4
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