CID 262529

1-chloro-1,1,3,3,3-pentafluoropropan-2-ol

Structural Information

Molecular Formula
C3H2ClF5O
SMILES
C(C(F)(F)F)(C(F)(F)Cl)O
InChI
InChI=1S/C3H2ClF5O/c4-2(5,6)1(10)3(7,8)9/h1,10H
InChIKey
HGIOAGJTHRJMPE-UHFFFAOYSA-N
Compound name
1-chloro-1,1,3,3,3-pentafluoropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

183.97144 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.978716 123.4
[M+Na]+ 206.960658 133.1
[M-H]- 182.964164 116.6
[M+NH4]+ 202.005263 143.3
[M+K]+ 222.934598 130.1
[M+H-H2O]+ 166.968700 117.1
[M+HCOO]- 228.969641 133.2
[M+CH3COO]- 242.985291 176.5
[M+Na-2H]- 204.946106 128.6
[M]+ 183.97089142 116.8
[M]- 183.97198858 116.8
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