CID 165661950

3-chloro-3,3-difluoropropan-1-ol

Structural Information

Molecular Formula
C3H5ClF2O
SMILES
C(CO)C(F)(F)Cl
InChI
InChI=1S/C3H5ClF2O/c4-3(5,6)1-2-7/h7H,1-2H2
InChIKey
GTZVCGRCPXTEBB-UHFFFAOYSA-N
Compound name
3-chloro-3,3-difluoropropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.9997 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.00698 117.8
[M+Na]+ 152.98892 127.1
[M-H]- 128.99242 114.5
[M+NH4]+ 148.03352 140.1
[M+K]+ 168.96286 124.5
[M+H-H2O]+ 112.99696 113.8
[M+HCOO]- 174.99790 133.1
[M+CH3COO]- 189.01355 167.2
[M+Na-2H]- 150.97437 125.1
[M]+ 129.99915 116.3
[M]- 130.00025 116.3
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.