CID 121207603

(2,2-difluoro-3,3-dimethylcyclopropyl)methanol

Structural Information

Molecular Formula
C6H10F2O
SMILES
CC1(C(C1(F)F)CO)C
InChI
InChI=1S/C6H10F2O/c1-5(2)4(3-9)6(5,7)8/h4,9H,3H2,1-2H3
InChIKey
ATLLUQOQTZGXPK-UHFFFAOYSA-N
Compound name
(2,2-difluoro-3,3-dimethylcyclopropyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.06998 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07726 120.0
[M+Na]+ 159.05920 131.8
[M-H]- 135.06270 122.2
[M+NH4]+ 154.10380 140.7
[M+K]+ 175.03314 130.8
[M+H-H2O]+ 119.06724 116.0
[M+HCOO]- 181.06818 140.1
[M+CH3COO]- 195.08383 175.7
[M+Na-2H]- 157.04465 127.4
[M]+ 136.06943 121.5
[M]- 136.07053 121.5
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.