CID 55297957

20411-83-0

Structural Information

Molecular Formula
C3H3ClF4O
SMILES
C(C(C(F)(F)Cl)(F)F)O
InChI
InChI=1S/C3H3ClF4O/c4-3(7,8)2(5,6)1-9/h9H,1H2
InChIKey
SSNVJNPCIZQFBV-UHFFFAOYSA-N
Compound name
3-chloro-2,2,3,3-tetrafluoropropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

165.98085 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.98813 121.8
[M+Na]+ 188.97007 131.6
[M-H]- 164.97357 116.2
[M+NH4]+ 184.01467 142.5
[M+K]+ 204.94401 128.6
[M+H-H2O]+ 148.97811 116.3
[M+HCOO]- 210.97905 133.5
[M+CH3COO]- 224.99470 173.4
[M+Na-2H]- 186.95552 128.7
[M]+ 165.98030 117.2
[M]- 165.98140 117.2
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

patents stripe