CID 23531634

1,1-difluoro-2-methylpropan-2-ol

Structural Information

Molecular Formula
C4H8F2O
SMILES
CC(C)(C(F)F)O
InChI
InChI=1S/C4H8F2O/c1-4(2,7)3(5)6/h3,7H,1-2H3
InChIKey
SFRBRCGHCPIOKB-UHFFFAOYSA-N
Compound name
1,1-difluoro-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

110.05432 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.06160 117.8
[M+Na]+ 133.04354 125.8
[M-H]- 109.04704 114.7
[M+NH4]+ 128.08814 140.1
[M+K]+ 149.01748 125.7
[M+H-H2O]+ 93.051580 112.9
[M+HCOO]- 155.05252 136.4
[M+CH3COO]- 169.06817 167.1
[M+Na-2H]- 131.02899 123.8
[M]+ 110.05377 114.3
[M]- 110.05487 114.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe